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

C14H15N5O — CID 60551015

IUPACN-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-2-5-9-8-12(19-18-9)13(20)17-14-15-10-6-3-4-7-11(10)16-14/h3-4,6-8H,2,5H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeySNRCNPSKTZBTHN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.49
Rot. Bonds4

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

N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 60551015) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID60551015
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1
InChIInChI=1S/C14H15N5O/c1-2-5-9-8-12(19-18-9)13(20)17-14-15-10-6-3-4-7-11(10)16-14/h3-4,6-8H,2,5H2,1H3,(H,18,19)(H2,15,16,17,20)
InChIKeySNRCNPSKTZBTHN-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
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N-(3,4-dimethylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 60551015) is N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2nc3ccccc3[nH]2)n[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is SNRCNPSKTZBTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-5-9-8-12(19-18-9)13(20)17-14-15-10-6-3-4-7-11(10)16-14/h3-4,6-8H,2,5H2,1H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.49, 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-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60551015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).