5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide

C19H26N6O — CID 26396678

IUPAC5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C19H26N6O/c1-19(2,12-24(3)4)11-20-18(26)16-9-14(22-23-16)10-25-13-21-15-7-5-6-8-17(15)25/h5-9,13H,10-12H2,1-4H3,(H,20,26)(H,22,23)
InChIKeyRFPHHMGUPBELDV-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.13
Rot. Bonds7

About 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide (PubChem CID 26396678) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
PubChem CID26396678
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C19H26N6O/c1-19(2,12-24(3)4)11-20-18(26)16-9-14(22-23-16)10-25-13-21-15-7-5-6-8-17(15)25/h5-9,13H,10-12H2,1-4H3,(H,20,26)(H,22,23)
InChIKeyRFPHHMGUPBELDV-UHFFFAOYSA-N
XLogP2.13
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56740184
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CID 95201785
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750239
5-(benzimidazol-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42520590
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-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 26406476
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56745517
5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95213113
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide (CID 26396678) is 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide is CN(C)CC(C)(C)CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RFPHHMGUPBELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2,12-24(3)4)11-20-18(26)16-9-14(22-23-16)10-25-13-21-15-7-5-6-8-17(15)25/h5-9,13H,10-12H2,1-4H3,(H,20,26)(H,22,23).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.13, 7 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-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 26396678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).