N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide

C11H9N5O — CID 110466681

IUPACN-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1cn[nH]c1
InChIInChI=1S/C11H9N5O/c17-11(7-4-14-15-5-7)16-8-1-2-9-10(3-8)13-6-12-9/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyBGOSJNISSYPQHF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.54
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide

N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide (PubChem CID 110466681) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
PubChem CID110466681
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC NameN-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)c1cn[nH]c1
InChIInChI=1S/C11H9N5O/c17-11(7-4-14-15-5-7)16-8-1-2-9-10(3-8)13-6-12-9/h1-6H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyBGOSJNISSYPQHF-UHFFFAOYSA-N
XLogP1.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide (CID 110466681) is N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)c1cn[nH]c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BGOSJNISSYPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c17-11(7-4-14-15-5-7)16-8-1-2-9-10(3-8)13-6-12-9/h1-6H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide?
N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 227.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).