N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C20H23N7O — CID 99931226

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C20H23N7O/c1-11-18(13(3)26(4)24-11)16-10-17(27(5)25-16)20(28)21-12(2)19-22-14-8-6-7-9-15(14)23-19/h6-10,12H,1-5H3,(H,21,28)(H,22,23)/t12-/m0/s1
InChIKeyBGMLIAZWLONUHN-LBPRGKRZSA-N
MW377.45 g/mol
LogP2.80
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 99931226) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID99931226
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n(C)n1
InChIInChI=1S/C20H23N7O/c1-11-18(13(3)26(4)24-11)16-10-17(27(5)25-16)20(28)21-12(2)19-22-14-8-6-7-9-15(14)23-19/h6-10,12H,1-5H3,(H,21,28)(H,22,23)/t12-/m0/s1
InChIKeyBGMLIAZWLONUHN-LBPRGKRZSA-N
XLogP2.80
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 77084387
N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 124841345
N-[1-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
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CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 78806694
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 55471878
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 99931226) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)n(C)n1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is BGMLIAZWLONUHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N7O/c1-11-18(13(3)26(4)24-11)16-10-17(27(5)25-16)20(28)21-12(2)19-22-14-8-6-7-9-15(14)23-19/h6-10,12H,1-5H3,(H,21,28)(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 99931226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).