4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C17H19N5O — CID 167828947

IUPAC4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-2-3-15-10-16(21-20-15)19-17(23)14-6-4-13(5-7-14)11-22-9-8-18-12-22/h4-10,12H,2-3,11H2,1H3,(H2,19,20,21,23)
InChIKeyLJTLLYRDOUSZJY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.86
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 167828947) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID167828947
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)n[nH]1
InChIInChI=1S/C17H19N5O/c1-2-3-15-10-16(21-20-15)19-17(23)14-6-4-13(5-7-14)11-22-9-8-18-12-22/h4-10,12H,2-3,11H2,1H3,(H2,19,20,21,23)
InChIKeyLJTLLYRDOUSZJY-UHFFFAOYSA-N
XLogP2.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
4-(imidazol-1-ylmethyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843520
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-(5-butyl-1H-pyrazol-3-yl)-4-[(1-methylpyrazol-3-yl)amino]benzamide
CID 166244743
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112680470

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 167828947) is 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(Cn3ccnc3)cc2)n[nH]1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is LJTLLYRDOUSZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-3-15-10-16(21-20-15)19-17(23)14-6-4-13(5-7-14)11-22-9-8-18-12-22/h4-10,12H,2-3,11H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 167828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).