3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole

C79H109N25O2S — CID 159385054

IUPAC3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole
SMILESC1=NNC(c2ccccc2)C1.C1=NNC(c2ccccn2)C1.C1=NNC(c2cccnc2)C1.C1=NNC(c2ccco2)C1.C1=NNC(c2ccncc2)C1.C1=NNC(c2ccoc2)C1.C1=NNC(c2ccsc2)C1.C1CCC2CNN=C2C1.CC1=NNCC1(C)C.CCC1C=NNC1C.CCC1NN=CC1C
InChIInChI=1S/C9H10N2.3C8H9N3.2C7H8N2O.C7H8N2S.C7H12N2.3C6H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-4-9-5-2-7(1)8-3-6-10-11-8;1-2-7(6-9-4-1)8-3-5-10-11-8;1-2-5-9-7(3-1)8-4-6-10-11-8;1-3-8-9-7(1)6-2-4-10-5-6;1-2-7(10-5-1)6-3-4-8-9-6;1-3-8-9-7(1)6-2-4-10-5-6;1-2-4-7-6(3-1)5-8-9-7;1-5-6(2,3)4-7-8-5;1-3-6-4-7-8-5(6)2;1-3-6-5(2)4-7-8-6/h1-5,7,9,11H,6H2;2*1-2,4-6,8,11H,3H2;1-3,5-6,8,11H,4H2;2-5,7,9H,1H2;1-2,4-6,9H,3H2;2-5,7,9H,1H2;6,8H,1-5H2;7H,4H2,1-3H3;2*4-6,8H,3H2,1-2H3
InChIKeyLLJSUDQSOGLFTF-UHFFFAOYSA-N
MW1472.98 g/mol
LogP13.49
Rot. Bonds9

About 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole

3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole (PubChem CID 159385054) has the molecular formula C79H109N25O2S and a molecular weight of 1472.98 g/mol. Its IUPAC name is 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole.

Molecular Properties

Compound Name3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole
PubChem CID159385054
Molecular FormulaC79H109N25O2S
Molecular Weight1472.98 g/mol
Exact Mass1471.89
IUPAC Name3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole
SMILESC1=NNC(c2ccccc2)C1.C1=NNC(c2ccccn2)C1.C1=NNC(c2cccnc2)C1.C1=NNC(c2ccco2)C1.C1=NNC(c2ccncc2)C1.C1=NNC(c2ccoc2)C1.C1=NNC(c2ccsc2)C1.C1CCC2CNN=C2C1.CC1=NNCC1(C)C.CCC1C=NNC1C.CCC1NN=CC1C
InChIInChI=1S/C9H10N2.3C8H9N3.2C7H8N2O.C7H8N2S.C7H12N2.3C6H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-4-9-5-2-7(1)8-3-6-10-11-8;1-2-7(6-9-4-1)8-3-5-10-11-8;1-2-5-9-7(3-1)8-4-6-10-11-8;1-3-8-9-7(1)6-2-4-10-5-6;1-2-7(10-5-1)6-3-4-8-9-6;1-3-8-9-7(1)6-2-4-10-5-6;1-2-4-7-6(3-1)5-8-9-7;1-5-6(2,3)4-7-8-5;1-3-6-4-7-8-5(6)2;1-3-6-5(2)4-7-8-6/h1-5,7,9,11H,6H2;2*1-2,4-6,8,11H,3H2;1-3,5-6,8,11H,4H2;2-5,7,9H,1H2;1-2,4-6,9H,3H2;2-5,7,9H,1H2;6,8H,1-5H2;7H,4H2,1-3H3;2*4-6,8H,3H2,1-2H3
InChIKeyLLJSUDQSOGLFTF-UHFFFAOYSA-N
XLogP13.49
TPSA333.24 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.98
LogP ≤ 513.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole?
The IUPAC name of 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole (CID 159385054) is 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole.
What is the SMILES notation for 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole?
The canonical SMILES for 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole is C1=NNC(c2ccccc2)C1.C1=NNC(c2ccccn2)C1.C1=NNC(c2cccnc2)C1.C1=NNC(c2ccco2)C1.C1=NNC(c2ccncc2)C1.C1=NNC(c2ccoc2)C1.C1=NNC(c2ccsc2)C1.C1CCC2CNN=C2C1.CC1=NNCC1(C)C.CCC1C=NNC1C.CCC1NN=CC1C.
What is the InChIKey of 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole?
The InChIKey is LLJSUDQSOGLFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.3C8H9N3.2C7H8N2O.C7H8N2S.C7H12N2.3C6H12N2/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-4-9-5-2-7(1)8-3-6-10-11-8;1-2-7(6-9-4-1)8-3-5-10-11-8;1-2-5-9-7(3-1)8-4-6-10-11-8;1-3-8-9-7(1)6-2-4-10-5-6;1-2-7(10-5-1)6-3-4-8-9-6;1-3-8-9-7(1)6-2-4-10-5-6;1-2-4-7-6(3-1)5-8-9-7;1-5-6(2,3)4-7-8-5;1-3-6-4-7-8-5(6)2;1-3-6-5(2)4-7-8-6/h1-5,7,9,11H,6H2;2*1-2,4-6,8,11H,3H2;1-3,5-6,8,11H,4H2;2-5,7,9H,1H2;1-2,4-6,9H,3H2;2-5,7,9H,1H2;6,8H,1-5H2;7H,4H2,1-3H3;2*4-6,8H,3H2,1-2H3.
What are the key properties of 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole?
3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole has a molecular weight of 1472.98 g/mol, XLogP of 13.49, 9 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,7-hexahydro-2H-indazole;2-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;3-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-(4,5-dihydro-1H-pyrazol-5-yl)pyridine;4-ethyl-5-methyl-4,5-dihydro-1H-pyrazole;5-ethyl-4-methyl-4,5-dihydro-1H-pyrazole;5-(furan-2-yl)-4,5-dihydro-1H-pyrazole;5-(furan-3-yl)-4,5-dihydro-1H-pyrazole;5-phenyl-4,5-dihydro-1H-pyrazole;5-thiophen-3-yl-4,5-dihydro-1H-pyrazole;3,4,4-trimethyl-1,5-dihydropyrazole is sourced from PubChem (CID 159385054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).