N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

C18H21N5O — CID 51097049

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H21N5O/c1-23(18(24)16-11-15(21-22-16)12-8-9-12)10-4-7-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyCPWNAOFBAIZLPW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide

N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 51097049) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID51097049
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H21N5O/c1-23(18(24)16-11-15(21-22-16)12-8-9-12)10-4-7-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyCPWNAOFBAIZLPW-UHFFFAOYSA-N
XLogP2.87
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[3-(1H-benzimidazol-2-yl)propyl]-N,5-dimethylfuro[3,2-b]pyridine-2-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
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N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyloxan-4-amine
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2-[4-(1H-benzimidazol-2-yl)butyl]-N-benzyl-N-methyl-1,3-thiazole-4-carboxamide
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CID 99578317
[(1R,8S,9R)-9-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl] cyclopropanecarboxylate
CID 46202613
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
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N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylpropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide (CID 51097049) is N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CPWNAOFBAIZLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23(18(24)16-11-15(21-22-16)12-8-9-12)10-4-7-17-19-13-5-2-3-6-14(13)20-17/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51097049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).