N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

C16H17ClN6O — CID 167891189

IUPACN-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)Nc2nc3c(Cl)cccc3[nH]2)n[nH]1
InChIInChI=1S/C16H17ClN6O/c1-23-7-3-6-13(23)11-8-12(22-21-11)15(24)20-16-18-10-5-2-4-9(17)14(10)19-16/h2,4-5,8,13H,3,6-7H2,1H3,(H,21,22)(H2,18,19,20,24)
InChIKeyXNPFIDGZJZJRIM-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.96
Rot. Bonds3

About N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide

N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 167891189) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID167891189
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
SMILESCN1CCCC1c1cc(C(=O)Nc2nc3c(Cl)cccc3[nH]2)n[nH]1
InChIInChI=1S/C16H17ClN6O/c1-23-7-3-6-13(23)11-8-12(22-21-11)15(24)20-16-18-10-5-2-4-9(17)14(10)19-16/h2,4-5,8,13H,3,6-7H2,1H3,(H,21,22)(H2,18,19,20,24)
InChIKeyXNPFIDGZJZJRIM-UHFFFAOYSA-N
XLogP2.96
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 127267310
N-[5-cyano-2-(ethylamino)phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
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5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 126824398
N-(3-chloro-2-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 40654834
N-(4-chloro-1H-benzimidazol-2-yl)spiro[2.4]heptane-2-carboxamide
CID 154800425
3-amino-N-(4-chloro-1H-benzimidazol-2-yl)-2-methylbutanamide
CID 120501807
[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone
CID 166253153
N-(4-chloro-1H-benzimidazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337642
5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
CID 119808417
N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 166252628

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide (CID 167891189) is N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is CN1CCCC1c1cc(C(=O)Nc2nc3c(Cl)cccc3[nH]2)n[nH]1.
What is the InChIKey of N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is XNPFIDGZJZJRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-23-7-3-6-13(23)11-8-12(22-21-11)15(24)20-16-18-10-5-2-4-9(17)14(10)19-16/h2,4-5,8,13H,3,6-7H2,1H3,(H,21,22)(H2,18,19,20,24).
What are the key properties of N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide?
N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 344.81 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167891189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).