N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C15H17N5O — CID 60540872

IUPACN-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C15H17N5O/c1-9(2)7-10-8-13(20-19-10)14(21)18-15-16-11-5-3-4-6-12(11)17-15/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyWTLJSEGTENXENQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.74
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 60540872) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID60540872
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C15H17N5O/c1-9(2)7-10-8-13(20-19-10)14(21)18-15-16-11-5-3-4-6-12(11)17-15/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21)
InChIKeyWTLJSEGTENXENQ-UHFFFAOYSA-N
XLogP2.74
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 60551015
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-(1H-benzimidazol-2-yl)-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 73051895
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
CID 91816283
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 60540872) is N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WTLJSEGTENXENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(2)7-10-8-13(20-19-10)14(21)18-15-16-11-5-3-4-6-12(11)17-15/h3-6,8-9H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60540872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).