5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide

C19H24N6O — CID 95201785

IUPAC5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1)N1CCCC1
InChIInChI=1S/C19H24N6O/c1-14(24-8-4-5-9-24)11-20-19(26)17-10-15(22-23-17)12-25-13-21-16-6-2-3-7-18(16)25/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,20,26)(H,22,23)/t14-/m0/s1
InChIKeyRIGMOSIKVYSVTO-AWEZNQCLSA-N
MW352.44 g/mol
LogP2.02
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide (PubChem CID 95201785) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
PubChem CID95201785
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1)N1CCCC1
InChIInChI=1S/C19H24N6O/c1-14(24-8-4-5-9-24)11-20-19(26)17-10-15(22-23-17)12-25-13-21-16-6-2-3-7-18(16)25/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,20,26)(H,22,23)/t14-/m0/s1
InChIKeyRIGMOSIKVYSVTO-AWEZNQCLSA-N
XLogP2.02
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42520590
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CID 26396678
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 26406476
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CID 56750239
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CID 56758151
5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95213113
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
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5-(benzimidazol-1-ylmethyl)-N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 56754049
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95196702
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287
[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]-(4-methoxy-4-prop-2-enylpiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide (CID 95201785) is 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide is C[C@@H](CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1)N1CCCC1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RIGMOSIKVYSVTO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14(24-8-4-5-9-24)11-20-19(26)17-10-15(22-23-17)12-25-13-21-16-6-2-3-7-18(16)25/h2-3,6-7,10,13-14H,4-5,8-9,11-12H2,1H3,(H,20,26)(H,22,23)/t14-/m0/s1.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95201785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).