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

C14H19ClF3N3O — CID 2970594

IUPACN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCC1
InChIInChI=1S/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)20-21(9)8-4-7-19-13(22)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,19,22)
InChIKeyULGWEXCIEXMIMB-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.56
Rot. Bonds5

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

N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide (PubChem CID 2970594) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
PubChem CID2970594
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC NameN-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCC1
InChIInChI=1S/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)20-21(9)8-4-7-19-13(22)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,19,22)
InChIKeyULGWEXCIEXMIMB-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
6-[2-(4-Chloro-3,5-dimethylpyrazol-1-yl)acetyl]-6,9-diazaspiro[4.5]decan-10-one
CID 132416184
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylacetamide
CID 4768438
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4769815
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isopropylpropanamide
CID 4770023
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
CID 4770346
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4770957
2-[4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-isobutylpropanamide
CID 4771347
N-(butan-2-yl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4771758
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 4772551

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide (CID 2970594) is N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)C1CCCC1.
What is the InChIKey of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide?
The InChIKey is ULGWEXCIEXMIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-9-11(15)12(14(16,17)18)20-21(9)8-4-7-19-13(22)10-5-2-3-6-10/h10H,2-8H2,1H3,(H,19,22).
What are the key properties of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide?
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide has a molecular weight of 337.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 2970594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).