[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride

C84H88Cl7F3N18O6 — CID 158844151

IUPAC[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CN(C)C(=O)Cl
InChIInChI=1S/2C28H29Cl2FN6O2.C25H24Cl2FN5O.C3H6ClNO/c2*1-17-16-23-36(28(39)33(3)4)18(2)24(26(37(23)32-17)21-6-5-7-22(29)25(21)30)27(38)35-14-12-34(13-15-35)20-10-8-19(31)9-11-20;1-15-14-21-29-16(2)22(24(33(21)30-15)19-4-3-5-20(26)23(19)27)25(34)32-12-10-31(11-13-32)18-8-6-17(28)7-9-18;1-5(2)3(4)6/h2*5-11,16,26H,12-15H2,1-4H3;3-9,14,24,29H,10-13H2,1-2H3;1-2H3
InChIKeyIYPPDEFJWGZHHS-UHFFFAOYSA-N
MW1750.91 g/mol
LogP16.88
Rot. Bonds9

About [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride

[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride (PubChem CID 158844151) has the molecular formula C84H88Cl7F3N18O6 and a molecular weight of 1750.91 g/mol. Its IUPAC name is [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride.

Molecular Properties

Compound Name[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride
PubChem CID158844151
Molecular FormulaC84H88Cl7F3N18O6
Molecular Weight1750.91 g/mol
Exact Mass1746.49
IUPAC Name[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CN(C)C(=O)Cl
InChIInChI=1S/2C28H29Cl2FN6O2.C25H24Cl2FN5O.C3H6ClNO/c2*1-17-16-23-36(28(39)33(3)4)18(2)24(26(37(23)32-17)21-6-5-7-22(29)25(21)30)27(38)35-14-12-34(13-15-35)20-10-8-19(31)9-11-20;1-15-14-21-29-16(2)22(24(33(21)30-15)19-4-3-5-20(26)23(19)27)25(34)32-12-10-31(11-13-32)18-8-6-17(28)7-9-18;1-5(2)3(4)6/h2*5-11,16,26H,12-15H2,1-4H3;3-9,14,24,29H,10-13H2,1-2H3;1-2H3
InChIKeyIYPPDEFJWGZHHS-UHFFFAOYSA-N
XLogP16.88
TPSA203.55 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001750.91
LogP ≤ 516.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride with MolForge

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Related Compounds

[7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135528474
[(7R)-7-(3,4-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450119
7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135547937
[11-(2,3-dichlorophenyl)-3,5,9-trimethyl-1,2,5,8-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),9-trien-10-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 71228622
[7-(2,3-dichlorophenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 90736568
7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,5-trimethyl-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-1-carboxamide
CID 20635753
7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-2-carboxamide;ethane;methanethiol
CID 142067381
[(7R)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135960824
acetylene;[7-(2,3-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone;methoxymethane
CID 142067358
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-quinolin-4-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 135844026
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-(2-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844011
[7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]methanone
CID 142067360

Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride?
The IUPAC name of [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride (CID 158844151) is [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride.
What is the SMILES notation for [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride?
The canonical SMILES for [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cccc(Cl)c2Cl)n2nc(C)cc2N1C(=O)N(C)C.CN(C)C(=O)Cl.
What is the InChIKey of [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride?
The InChIKey is IYPPDEFJWGZHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H29Cl2FN6O2.C25H24Cl2FN5O.C3H6ClNO/c2*1-17-16-23-36(28(39)33(3)4)18(2)24(26(37(23)32-17)21-6-5-7-22(29)25(21)30)27(38)35-14-12-34(13-15-35)20-10-8-19(31)9-11-20;1-15-14-21-29-16(2)22(24(33(21)30-15)19-4-3-5-20(26)23(19)27)25(34)32-12-10-31(11-13-32)18-8-6-17(28)7-9-18;1-5(2)3(4)6/h2*5-11,16,26H,12-15H2,1-4H3;3-9,14,24,29H,10-13H2,1-2H3;1-2H3.
What are the key properties of [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride?
[7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride has a molecular weight of 1750.91 g/mol, XLogP of 16.88, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,3-dichlorophenyl)-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone;bis(7-(2,3-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N,2,5-tetramethyl-7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide);N,N-dimethylcarbamoyl chloride is sourced from PubChem (CID 158844151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).