1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide

C18H15F2N3O — CID 86844397

IUPAC1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H15F2N3O/c1-22(12-13-4-2-5-14(19)10-13)18(24)17-8-9-23(21-17)16-7-3-6-15(20)11-16/h2-11H,12H2,1H3
InChIKeyUYOPPKUDRXZIOQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.42
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide

1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 86844397) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID86844397
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H15F2N3O/c1-22(12-13-4-2-5-14(19)10-13)18(24)17-8-9-23(21-17)16-7-3-6-15(20)11-16/h2-11H,12H2,1H3
InChIKeyUYOPPKUDRXZIOQ-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62238406
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
CID 55925389
N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 47850677
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18113904
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide (CID 86844397) is 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is UYOPPKUDRXZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-22(12-13-4-2-5-14(19)10-13)18(24)17-8-9-23(21-17)16-7-3-6-15(20)11-16/h2-11H,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide?
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 86844397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).