N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

C18H16FN3O — CID 71824635

IUPACN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O/c1-12-2-6-14(7-3-12)17-16(11-21-22-17)18(23)20-10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLDIWYAXUYFHXCE-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.45
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824635) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824635
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FN3O/c1-12-2-6-14(7-3-12)17-16(11-21-22-17)18(23)20-10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyLDIWYAXUYFHXCE-UHFFFAOYSA-N
XLogP3.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24682859
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
5-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824606

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 71824635) is N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LDIWYAXUYFHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-2-6-14(7-3-12)17-16(11-21-22-17)18(23)20-10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).