4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide

C18H16Cl2N4O — CID 56808607

IUPAC4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2N4O/c1-23-15(10-13(19)16(23)20)18(25)21-17-12-8-5-9-14(12)22-24(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,21,25)
InChIKeyVBDOFMMUZMYLLE-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.26
Rot. Bonds3

About 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide

4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 56808607) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID56808607
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(Cl)c1Cl
InChIInChI=1S/C18H16Cl2N4O/c1-23-15(10-13(19)16(23)20)18(25)21-17-12-8-5-9-14(12)22-24(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,21,25)
InChIKeyVBDOFMMUZMYLLE-UHFFFAOYSA-N
XLogP4.26
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007109
3,4-difluoro-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 43036733
3-chloro-4,5-dimethoxy-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007405
1-benzyl-6-oxo-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55758251
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30177201
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123
2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 48574488
4-(difluoromethylsulfonyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 55475933
2-(difluoromethoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007381
2-(2-chloro-4-fluorophenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 30007516
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 30007660
4-[methyl(phenyl)sulfamoyl]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)benzamide
CID 30007162

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide (CID 56808607) is 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide is Cn1c(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is VBDOFMMUZMYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-23-15(10-13(19)16(23)20)18(25)21-17-12-8-5-9-14(12)22-24(17)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,21,25).
What are the key properties of 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide?
4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 56808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).