4-[4-(1H-pyrazol-5-yl)phenyl]benzamide

C16H13N3O — CID 56703692

IUPAC4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19)
InChIKeyQTNJIFRIXHUTQB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.84
Rot. Bonds3

About 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide

4-[4-(1H-pyrazol-5-yl)phenyl]benzamide (PubChem CID 56703692) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
PubChem CID56703692
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-[4-(1H-pyrazol-5-yl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H13N3O/c17-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19)
InChIKeyQTNJIFRIXHUTQB-UHFFFAOYSA-N
XLogP2.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-2-enyl-1,2-thiazole;4-(1H-pyrazol-5-yl)benzamide
CID 174960027
4-hydroxy-3-(1H-pyrazol-5-yl)benzamide
CID 174574401
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174
4-N-(1H-pyrazol-5-yl)benzene-1,4-dicarboxamide
CID 61393914
1-(4-aminophenyl)-2-phenylethanone;4-(1H-pyrazol-5-yl)aniline
CID 68644674
N-(4-carbamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19614759
5-(4-bromophenyl)-1H-pyrazole
CID 2735614
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one
CID 50984818
2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847384
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
2-[4-(1H-pyrazol-5-yl)phenoxy]acetic acid
CID 102534246

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide (CID 56703692) is 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
The InChIKey is QTNJIFRIXHUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)14-7-3-12(4-8-14)11-1-5-13(6-2-11)15-9-10-18-19-15/h1-10H,(H2,17,20)(H,18,19).
What are the key properties of 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide?
4-[4-(1H-pyrazol-5-yl)phenyl]benzamide has a molecular weight of 263.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56703692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).