1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide

C104H124B4F18N48S3-4 — CID 160638012

IUPAC1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide
SMILESCC(Cn1cccn1)(Cn1cccn1)Cn1cccn1.CN1CCN([BH-](N2CCN(C)C2=S)N2CCN(C)C2=S)C1=S.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cn1ccnc1CC(Cc1nccn1C)Cc1nccn1C.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.c1cnn(C(n2cccn2)n2cccn2)c1.c1cnn(CC(Cn2cccn2)Cn2cccn2)c1.c1cnn([BH-](n2cccn2)n2cccn2)c1
InChIInChI=1S/C16H22N6.C15H4BF18N6.C15H22BN6.C14H18N6.C13H16N6.C12H22BN6S3.C10H10N6.C9H10BN6/c1-20-7-4-17-14(20)10-13(11-15-18-5-8-21(15)2)12-16-19-6-9-22(16)3;17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-14(11-18-8-2-5-15-18,12-19-9-3-6-16-19)13-20-10-4-7-17-20;1-4-14-17(7-1)10-13(11-18-8-2-5-15-18)12-19-9-3-6-16-19;1-14-4-7-17(10(14)20)13(18-8-5-15(2)11(18)21)19-9-6-16(3)12(19)22;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h4-9,13H,10-12H2,1-3H3;1-3,16H;7-9,16H,1-6H3;2-10H,11-13H2,1H3;1-9,13H,10-12H2;13H,4-9H2,1-3H3;2*1-10H/q;2*-1;;;-1;;-1
InChIKeyRIUIRTPTUGSZCT-UHFFFAOYSA-N
MW2527.88 g/mol
LogP12.41
Rot. Bonds33

About 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide

1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide (PubChem CID 160638012) has the molecular formula C104H124B4F18N48S3-4 and a molecular weight of 2527.88 g/mol. Its IUPAC name is 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide.

Molecular Properties

Compound Name1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide
PubChem CID160638012
Molecular FormulaC104H124B4F18N48S3-4
Molecular Weight2527.88 g/mol
Exact Mass2527.04
IUPAC Name1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide
SMILESCC(Cn1cccn1)(Cn1cccn1)Cn1cccn1.CN1CCN([BH-](N2CCN(C)C2=S)N2CCN(C)C2=S)C1=S.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cn1ccnc1CC(Cc1nccn1C)Cc1nccn1C.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.c1cnn(C(n2cccn2)n2cccn2)c1.c1cnn(CC(Cn2cccn2)Cn2cccn2)c1.c1cnn([BH-](n2cccn2)n2cccn2)c1
InChIInChI=1S/C16H22N6.C15H4BF18N6.C15H22BN6.C14H18N6.C13H16N6.C12H22BN6S3.C10H10N6.C9H10BN6/c1-20-7-4-17-14(20)10-13(11-15-18-5-8-21(15)2)12-16-19-6-9-22(16)3;17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-14(11-18-8-2-5-15-18,12-19-9-3-6-16-19)13-20-10-4-7-17-20;1-4-14-17(7-1)10-13(11-18-8-2-5-15-18)12-19-9-3-6-16-19;1-14-4-7-17(10(14)20)13(18-8-5-15(2)11(18)21)19-9-6-16(3)12(19)22;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h4-9,13H,10-12H2,1-3H3;1-3,16H;7-9,16H,1-6H3;2-10H,11-13H2,1H3;1-9,13H,10-12H2;13H,4-9H2,1-3H3;2*1-10H/q;2*-1;;;-1;;-1
InChIKeyRIUIRTPTUGSZCT-UHFFFAOYSA-N
XLogP12.41
TPSA393.66 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002527.88
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide?
The IUPAC name of 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide (CID 160638012) is 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide.
What is the SMILES notation for 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide?
The canonical SMILES for 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide is CC(Cn1cccn1)(Cn1cccn1)Cn1cccn1.CN1CCN([BH-](N2CCN(C)C2=S)N2CCN(C)C2=S)C1=S.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cn1ccnc1CC(Cc1nccn1C)Cc1nccn1C.FC(F)(F)c1cc(C(F)(F)F)n([BH-](n2nc(C(F)(F)F)cc2C(F)(F)F)n2nc(C(F)(F)F)cc2C(F)(F)F)n1.c1cnn(C(n2cccn2)n2cccn2)c1.c1cnn(CC(Cn2cccn2)Cn2cccn2)c1.c1cnn([BH-](n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide?
The InChIKey is RIUIRTPTUGSZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6.C15H4BF18N6.C15H22BN6.C14H18N6.C13H16N6.C12H22BN6S3.C10H10N6.C9H10BN6/c1-20-7-4-17-14(20)10-13(11-15-18-5-8-21(15)2)12-16-19-6-9-22(16)3;17-10(18,19)4-1-7(13(26,27)28)38(35-4)16(39-8(14(29,30)31)2-5(36-39)11(20,21)22)40-9(15(32,33)34)3-6(37-40)12(23,24)25;1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-14(11-18-8-2-5-15-18,12-19-9-3-6-16-19)13-20-10-4-7-17-20;1-4-14-17(7-1)10-13(11-18-8-2-5-15-18)12-19-9-3-6-16-19;1-14-4-7-17(10(14)20)13(18-8-5-15(2)11(18)21)19-9-6-16(3)12(19)22;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16/h4-9,13H,10-12H2,1-3H3;1-3,16H;7-9,16H,1-6H3;2-10H,11-13H2,1H3;1-9,13H,10-12H2;13H,4-9H2,1-3H3;2*1-10H/q;2*-1;;;-1;;-1.
What are the key properties of 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide?
1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide has a molecular weight of 2527.88 g/mol, XLogP of 12.41, 33 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(pyrazol-1-yl)methyl]pyrazole;1-methyl-2-[3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propyl]imidazole;1-[2-methyl-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;1-[3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]pyrazole;tri(pyrazol-1-yl)boranuide;tris[3,5-bis(trifluoromethyl)pyrazol-1-yl]boranuide;tris(3,5-dimethylpyrazol-1-yl)boranuide;tris(3-methyl-2-sulfanylideneimidazolidin-1-yl)boranuide is sourced from PubChem (CID 160638012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).