N-(1-methyl-3-phenylpyrazol-5-yl)benzamide

C17H15N3O — CID 2814962

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21)
InChIKeySETYVWOCAGZSKN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.34
Rot. Bonds3

About N-(1-methyl-3-phenylpyrazol-5-yl)benzamide

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide (PubChem CID 2814962) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)benzamide
PubChem CID2814962
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)benzamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21)
InChIKeySETYVWOCAGZSKN-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11245456
CID 11245456
CID 449088
CID 449088
CID 4156919
CID 4156919
CID 11574130
CID 11574130
CID 339736
CID 339736
CID 135459218
CID 135459218
CID 6538741
CID 6538741
CID 11652621
CID 11652621
CID 136983740
CID 136983740
CID 1508258
CID 1508258
CID 1510958
CID 1510958
CID 339733
CID 339733

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)benzamide (CID 2814962) is N-(1-methyl-3-phenylpyrazol-5-yl)benzamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)benzamide is Cn1nc(-c2ccccc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
The InChIKey is SETYVWOCAGZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20-16(18-17(21)14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2-12H,1H3,(H,18,21).
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)benzamide?
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide has a molecular weight of 277.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2814962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).