3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide

C22H21ClF3N7O — CID 29092741

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide
SMILESCc1c(-c2ccn(-c3ccc(NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)cc3)n2)cnn1C
InChIInChI=1S/C22H21ClF3N7O/c1-13-17(12-27-31(13)3)18-8-10-33(29-18)16-6-4-15(5-7-16)28-19(34)9-11-32-14(2)20(23)21(30-32)22(24,25)26/h4-8,10,12H,9,11H2,1-3H3,(H,28,34)
InChIKeyUQKWDWCORDDLQS-UHFFFAOYSA-N
MW491.91 g/mol
LogP4.79
Rot. Bonds6

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide (PubChem CID 29092741) has the molecular formula C22H21ClF3N7O and a molecular weight of 491.91 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide
PubChem CID29092741
Molecular FormulaC22H21ClF3N7O
Molecular Weight491.91 g/mol
Exact Mass491.14
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide
SMILESCc1c(-c2ccn(-c3ccc(NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)cc3)n2)cnn1C
InChIInChI=1S/C22H21ClF3N7O/c1-13-17(12-27-31(13)3)18-8-10-33(29-18)16-6-4-15(5-7-16)28-19(34)9-11-32-14(2)20(23)21(30-32)22(24,25)26/h4-8,10,12H,9,11H2,1-3H3,(H,28,34)
InChIKeyUQKWDWCORDDLQS-UHFFFAOYSA-N
XLogP4.79
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.91
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]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

N-(4-acetamidophenyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19554099
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide
CID 19614121
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19554159
N-[3-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19554288
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19554192
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19554250
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19284023
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283470
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19554225
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19554166
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]propanamide
CID 19554290
4-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]butanoyl chloride
CID 19554162

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide (CID 29092741) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide is Cc1c(-c2ccn(-c3ccc(NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C)cc3)n2)cnn1C.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide?
The InChIKey is UQKWDWCORDDLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N7O/c1-13-17(12-27-31(13)3)18-8-10-33(29-18)16-6-4-15(5-7-16)28-19(34)9-11-32-14(2)20(23)21(30-32)22(24,25)26/h4-8,10,12H,9,11H2,1-3H3,(H,28,34).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide has a molecular weight of 491.91 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 29092741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).