N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

C18H17ClF3N5O — CID 19535289

IUPACN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C18H17ClF3N5O/c1-10-7-15(16(21)22)24-27(10)11(2)18(28)23-17-13(19)9-26(25-17)8-12-5-3-4-6-14(12)20/h3-7,9,11,16H,8H2,1-2H3,(H,23,25,28)
InChIKeyRFEOKBHIZLDDGB-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.37
Rot. Bonds6

About N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (PubChem CID 19535289) has the molecular formula C18H17ClF3N5O and a molecular weight of 411.82 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
PubChem CID19535289
Molecular FormulaC18H17ClF3N5O
Molecular Weight411.82 g/mol
Exact Mass411.11
IUPAC NameN-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl
InChIInChI=1S/C18H17ClF3N5O/c1-10-7-15(16(21)22)24-27(10)11(2)18(28)23-17-13(19)9-26(25-17)8-12-5-3-4-6-14(12)20/h3-7,9,11,16H,8H2,1-2H3,(H,23,25,28)
InChIKeyRFEOKBHIZLDDGB-UHFFFAOYSA-N
XLogP4.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide 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-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19532035
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532640
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19539503
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzamide
CID 19409434
1-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-chlorophenyl)urea
CID 39853155
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19544172
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287684
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517020
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519461
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559486
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The IUPAC name of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (CID 19535289) is N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The canonical SMILES for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)Nc1nn(Cc2ccccc2F)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The InChIKey is RFEOKBHIZLDDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5O/c1-10-7-15(16(21)22)24-27(10)11(2)18(28)23-17-13(19)9-26(25-17)8-12-5-3-4-6-14(12)20/h3-7,9,11,16H,8H2,1-2H3,(H,23,25,28).
What are the key properties of N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide has a molecular weight of 411.82 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is sourced from PubChem (CID 19535289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).