N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C18H20F3N3O — CID 154003105

IUPACN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1
InChIInChI=1S/C18H20F3N3O/c1-10(2)13-6-4-3-5-11(13)9-24(12-7-8-12)18(25)14-15(16(19)20)22-23-17(14)21/h3-6,10,12,16H,7-9H2,1-2H3,(H,22,23)
InChIKeyMOWHAPBKUOXMAA-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.41
Rot. Bonds6

About N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 154003105) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID154003105
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1CN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1
InChIInChI=1S/C18H20F3N3O/c1-10(2)13-6-4-3-5-11(13)9-24(12-7-8-12)18(25)14-15(16(19)20)22-23-17(14)21/h3-6,10,12,16H,7-9H2,1-2H3,(H,22,23)
InChIKeyMOWHAPBKUOXMAA-UHFFFAOYSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-(difluoromethyl)-N-[(2-ethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 172854849
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-5-fluoro-3-[fluoro(iodo)methyl]-1-methylpyrazole-4-carboxamide
CID 138495817
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 175935253
N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 126768034
1-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-(2-propan-2-ylphenyl)thiourea
CID 17376955
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71920081
N-fluoro-1-methyl-N-[(2-propan-2-ylphenyl)methyl]pyrazole-4-carboxamide
CID 129078811
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(5-methyl-2-propan-2-ylphenyl)prop-2-enyl]pyrazole-4-carboxamide
CID 170103083
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-3-(difluoromethyl)-5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole-4-carboxamide
CID 135134598
N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 154003105) is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is CC(C)c1ccccc1CN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MOWHAPBKUOXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-10(2)13-6-4-3-5-11(13)9-24(12-7-8-12)18(25)14-15(16(19)20)22-23-17(14)21/h3-6,10,12,16H,7-9H2,1-2H3,(H,22,23).
What are the key properties of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-[(2-propan-2-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154003105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).