N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide

C18H17N3O — CID 91773131

IUPACN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C18H17N3O/c1-13-10-17(21-20-13)12-19-18(22)16-9-5-8-15(11-16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyRSQPYHBEXJNZJM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide (PubChem CID 91773131) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
PubChem CID91773131
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
SMILESCc1cc(CNC(=O)c2cccc(-c3ccccc3)c2)n[nH]1
InChIInChI=1S/C18H17N3O/c1-13-10-17(21-20-13)12-19-18(22)16-9-5-8-15(11-16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyRSQPYHBEXJNZJM-UHFFFAOYSA-N
XLogP3.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 50983440
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
3-(3-tert-butylphenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137092374
N'-methyl-3-phenylbenzohydrazide
CID 142295291
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
4-iodo-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 146088297
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-phenylbenzamide
CID 110730367
3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126452566
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide (CID 91773131) is N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide is Cc1cc(CNC(=O)c2cccc(-c3ccccc3)c2)n[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide?
The InChIKey is RSQPYHBEXJNZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-10-17(21-20-13)12-19-18(22)16-9-5-8-15(11-16)14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide?
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide is sourced from PubChem (CID 91773131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).