N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C20H25ClFN3O — CID 72880935

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H25ClFN3O/c1-4-25-19(11-14(23-25)10-13(2)3)20(26)24(15-8-9-15)12-16-17(21)6-5-7-18(16)22/h5-7,11,13,15H,4,8-10,12H2,1-3H3
InChIKeyYCCJLWKZPQSDPH-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.70
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72880935) has the molecular formula C20H25ClFN3O and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72880935
Molecular FormulaC20H25ClFN3O
Molecular Weight377.89 g/mol
Exact Mass377.17
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C20H25ClFN3O/c1-4-25-19(11-14(23-25)10-13(2)3)20(26)24(15-8-9-15)12-16-17(21)6-5-7-18(16)22/h5-7,11,13,15H,4,8-10,12H2,1-3H3
InChIKeyYCCJLWKZPQSDPH-UHFFFAOYSA-N
XLogP4.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-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

2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
2-(aminomethyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 65230216
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methyl-3-nitrobenzamide
CID 46420693
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 122570529
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-[(3S)-1-ethylpiperidin-3-yl]urea
CID 125445097
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72880935) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is YCCJLWKZPQSDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O/c1-4-25-19(11-14(23-25)10-13(2)3)20(26)24(15-8-9-15)12-16-17(21)6-5-7-18(16)22/h5-7,11,13,15H,4,8-10,12H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 377.89 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-ethyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72880935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).