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

C14H15N5O — CID 47293402

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-9-8-12(19-18-9)14(20)15-7-6-13-16-10-4-2-3-5-11(10)17-13/h2-5,8H,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyRHGXFHJWYBCTDP-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds4

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 47293402) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID47293402
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-9-8-12(19-18-9)14(20)15-7-6-13-16-10-4-2-3-5-11(10)17-13/h2-5,8H,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyRHGXFHJWYBCTDP-UHFFFAOYSA-N
XLogP1.57
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 18126137
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 47293402) is N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)n[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is RHGXFHJWYBCTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-8-12(19-18-9)14(20)15-7-6-13-16-10-4-2-3-5-11(10)17-13/h2-5,8H,6-7H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).