N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

C17H21N5O — CID 136559491

IUPACN-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(C)(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5O/c1-5-22-14(10-11(2)21-22)15(23)20-17(3,4)16-18-12-8-6-7-9-13(12)19-16/h6-10H,5H2,1-4H3,(H,18,19)(H,20,23)
InChIKeyVQULKXJFADGMBD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 136559491) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID136559491
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NC(C)(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5O/c1-5-22-14(10-11(2)21-22)15(23)20-17(3,4)16-18-12-8-6-7-9-13(12)19-16/h6-10H,5H2,1-4H3,(H,18,19)(H,20,23)
InChIKeyVQULKXJFADGMBD-UHFFFAOYSA-N
XLogP2.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113147
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
N-(2-chloro-1-phenylethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114300222
2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 103941002
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702804
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 136559491) is N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NC(C)(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is VQULKXJFADGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-5-22-14(10-11(2)21-22)15(23)20-17(3,4)16-18-12-8-6-7-9-13(12)19-16/h6-10H,5H2,1-4H3,(H,18,19)(H,20,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)propan-2-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136559491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).