4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide

C14H16Cl2F3N5O — CID 19325915

IUPAC4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)n1
InChIInChI=1S/C14H16Cl2F3N5O/c1-3-23-7-9(15)11(21-23)13(25)20-5-4-6-24-8(2)10(16)12(22-24)14(17,18)19/h7H,3-6H2,1-2H3,(H,20,25)
InChIKeyDYDHXWLJGKHENC-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.55
Rot. Bonds6

About 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19325915) has the molecular formula C14H16Cl2F3N5O and a molecular weight of 398.22 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19325915
Molecular FormulaC14H16Cl2F3N5O
Molecular Weight398.22 g/mol
Exact Mass397.07
IUPAC Name4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)n1
InChIInChI=1S/C14H16Cl2F3N5O/c1-3-23-7-9(15)11(21-23)13(25)20-5-4-6-24-8(2)10(16)12(22-24)14(17,18)19/h7H,3-6H2,1-2H3,(H,20,25)
InChIKeyDYDHXWLJGKHENC-UHFFFAOYSA-N
XLogP3.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-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

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263512
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19326191
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide
CID 19326180
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19523462
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19326146
3-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-benzothiophene-2-carboxamide
CID 19326176
2,4-dichloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19326096
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19326112
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-methoxy-2-methylbenzamide
CID 19326115
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135706763
4-[(2-bromophenoxy)methyl]-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
CID 19325925
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 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide (CID 19325915) is 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C)n1.
What is the InChIKey of 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is DYDHXWLJGKHENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N5O/c1-3-23-7-9(15)11(21-23)13(25)20-5-4-6-24-8(2)10(16)12(22-24)14(17,18)19/h7H,3-6H2,1-2H3,(H,20,25).
What are the key properties of 4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 398.22 g/mol, XLogP of 3.55, 6 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-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19325915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).