4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H13Cl3F3N5O — CID 19506699

IUPAC4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(Cl)c1Cl
InChIInChI=1S/C13H13Cl3F3N5O/c1-6-7(14)11(16)24(21-6)5-3-4-20-12(25)9-8(15)10(13(17,18)19)22-23(9)2/h3-5H2,1-2H3,(H,20,25)
InChIKeyQGXWEPSAVIRIRX-UHFFFAOYSA-N
MW418.63 g/mol
LogP3.72
Rot. Bonds5

About 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19506699) has the molecular formula C13H13Cl3F3N5O and a molecular weight of 418.63 g/mol. Its IUPAC name is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19506699
Molecular FormulaC13H13Cl3F3N5O
Molecular Weight418.63 g/mol
Exact Mass417.01
IUPAC Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1nn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(Cl)c1Cl
InChIInChI=1S/C13H13Cl3F3N5O/c1-6-7(14)11(16)24(21-6)5-3-4-20-12(25)9-8(15)10(13(17,18)19)22-23(9)2/h3-5H2,1-2H3,(H,20,25)
InChIKeyQGXWEPSAVIRIRX-UHFFFAOYSA-N
XLogP3.72
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481636
4-chloro-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481557
4-chloro-1-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19328080
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 19590958
4-chloro-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118771309
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19326191
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19506699) is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1nn(CCCNC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(Cl)c1Cl.
What is the InChIKey of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QGXWEPSAVIRIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3F3N5O/c1-6-7(14)11(16)24(21-6)5-3-4-20-12(25)9-8(15)10(13(17,18)19)22-23(9)2/h3-5H2,1-2H3,(H,20,25).
What are the key properties of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 418.63 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19506699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).