N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide

C18H16FN3O — CID 19285133

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-2-6-15(7-3-13)18(23)20-17-10-11-22(21-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyGHNXQMRTGYTIPK-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.63
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide (PubChem CID 19285133) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
PubChem CID19285133
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-13-2-6-15(7-3-13)18(23)20-17-10-11-22(21-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyGHNXQMRTGYTIPK-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
3-fluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284554
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284667
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285210
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19402979

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide (CID 19285133) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
The InChIKey is GHNXQMRTGYTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-2-6-15(7-3-13)18(23)20-17-10-11-22(21-17)12-14-4-8-16(19)9-5-14/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide has a molecular weight of 309.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 19285133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).