3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide

C18H16Cl2F3N5O — CID 19554192

IUPAC3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16Cl2F3N5O/c1-11-16(20)17(18(21,22)23)26-28(11)7-6-15(29)25-13-8-24-27(10-13)9-12-4-2-3-5-14(12)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29)
InChIKeyFAULPTVSQCNZCC-UHFFFAOYSA-N
MW446.26 g/mol
LogP4.79
Rot. Bonds6

About 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide

3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19554192) has the molecular formula C18H16Cl2F3N5O and a molecular weight of 446.26 g/mol. Its IUPAC name is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19554192
Molecular FormulaC18H16Cl2F3N5O
Molecular Weight446.26 g/mol
Exact Mass445.07
IUPAC Name3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16Cl2F3N5O/c1-11-16(20)17(18(21,22)23)26-28(11)7-6-15(29)25-13-8-24-27(10-13)9-12-4-2-3-5-14(12)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29)
InChIKeyFAULPTVSQCNZCC-UHFFFAOYSA-N
XLogP4.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19550158
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19550222
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19554225
N-(4-acetamidophenyl)-3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19554099
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19563576
N-[3-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19554288
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283470
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19520042
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19551897
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19553970

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19554192) is 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide is Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)Nc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is FAULPTVSQCNZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N5O/c1-11-16(20)17(18(21,22)23)26-28(11)7-6-15(29)25-13-8-24-27(10-13)9-12-4-2-3-5-14(12)19/h2-5,8,10H,6-7,9H2,1H3,(H,25,29).
What are the key properties of 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide?
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 446.26 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19554192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).