3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

C14H15N5O — CID 63819900

IUPAC3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccccc32)n[nH]1
InChIInChI=1S/C14H15N5O/c1-10-8-13(18-17-10)16-14(20)6-7-19-9-15-11-4-2-3-5-12(11)19/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20)
InChIKeyDJCASVTZSCPURO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds4

About 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide

3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (PubChem CID 63819900) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
PubChem CID63819900
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3ccccc32)n[nH]1
InChIInChI=1S/C14H15N5O/c1-10-8-13(18-17-10)16-14(20)6-7-19-9-15-11-4-2-3-5-12(11)19/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20)
InChIKeyDJCASVTZSCPURO-UHFFFAOYSA-N
XLogP2.10
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide (CID 63819900) is 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2cnc3ccccc32)n[nH]1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is DJCASVTZSCPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-8-13(18-17-10)16-14(20)6-7-19-9-15-11-4-2-3-5-12(11)19/h2-5,8-9H,6-7H2,1H3,(H2,16,17,18,20).
What are the key properties of 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide?
3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 269.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 63819900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).