N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C21H20FN3O — CID 55757023

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-13-20(23-25(15)19-5-3-2-4-6-19)21(26)24(18-11-12-18)14-16-7-9-17(22)10-8-16/h2-10,13,18H,11-12,14H2,1H3
InChIKeyMABZTQIDEJHYSZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.12
Rot. Bonds5

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55757023) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55757023
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H20FN3O/c1-15-13-20(23-25(15)19-5-3-2-4-6-19)21(26)24(18-11-12-18)14-16-7-9-17(22)10-8-16/h2-10,13,18H,11-12,14H2,1H3
InChIKeyMABZTQIDEJHYSZ-UHFFFAOYSA-N
XLogP4.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-(5-methyl-1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 119194677
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208
3-[(5-methyl-1-phenylpyrazole-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212253
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
3-[cyclopropyl-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 120535230
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
N-[2-(diethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 112830628
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
N-benzyl-N-cyclopropyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 25493006
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55757023) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is MABZTQIDEJHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-13-20(23-25(15)19-5-3-2-4-6-19)21(26)24(18-11-12-18)14-16-7-9-17(22)10-8-16/h2-10,13,18H,11-12,14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55757023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).