N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide

C20H19ClN4O — CID 611555

IUPACN-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCc1cccc(C)c1N1CCc2cnn(C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-14(2)18(13)24-11-10-15-12-22-25(19(15)24)20(26)23-17-8-6-16(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyJBBWFYWFNRXPND-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.93
Rot. Bonds2

About N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide

N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide (PubChem CID 611555) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide
PubChem CID611555
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide
SMILESCc1cccc(C)c1N1CCc2cnn(C(=O)Nc3ccc(Cl)cc3)c21
InChIInChI=1S/C20H19ClN4O/c1-13-4-3-5-14(2)18(13)24-11-10-15-12-22-25(19(15)24)20(26)23-17-8-6-16(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKeyJBBWFYWFNRXPND-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-3-(dimethylamino)-4-phenyl-1H-pyrazole-1-carboxamide
CID 1473146
US11116757, No. A153
CID 126711451
N-(3-chlorophenyl)-6-(2,6-dimethylphenyl)-5,6-dihydropyrrolo[2,3-c]pyrazole-1(4H)-carboxamide
CID 1895195
5-amino-N-[4-chloro-2-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862127
1-(4-chloro-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3260476
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,5-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3933271
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4213053
1-[1-[(4-Chlorophenyl)methyl]pyrazol-3-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 17264230
1-(4-Chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]urea
CID 19405700
1-[1-[(2-Chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)urea
CID 19405712
1-(4-Chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]urea
CID 19405717
1-(4-Chlorophenyl)-3-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]urea
CID 19405729

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide (CID 611555) is N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide is Cc1cccc(C)c1N1CCc2cnn(C(=O)Nc3ccc(Cl)cc3)c21.
What is the InChIKey of N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide?
The InChIKey is JBBWFYWFNRXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-4-3-5-14(2)18(13)24-11-10-15-12-22-25(19(15)24)20(26)23-17-8-6-16(21)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide?
N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(2,6-dimethylphenyl)-4,5-dihydropyrrolo[3,2-d]pyrazole-1-carboxamide is sourced from PubChem (CID 611555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).