1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide

C18H16FN3O2 — CID 86996428

IUPAC1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-17-8-7-15(9-16(17)19)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyNTRIIKGUSQIJTQ-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.33
Rot. Bonds5

About 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 86996428) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID86996428
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-24-17-8-7-15(9-16(17)19)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyNTRIIKGUSQIJTQ-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-benzyl-N-[5-[(4-chlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]pyrazole-4-carboxamide
CID 166752119
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 24564587
1-benzylpyrazole-4-carbohydrazide
CID 83386286
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 18281965
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide (CID 86996428) is 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1F.
What is the InChIKey of 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is NTRIIKGUSQIJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-17-8-7-15(9-16(17)19)21-18(23)14-10-20-22(12-14)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).