N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H19ClF3N3O — CID 19556139

IUPACN-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-2-3-7-19-10(22)6-8-21-12(9-4-5-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22)
InChIKeySGBYILCRWLOUFA-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.74
Rot. Bonds7

About N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19556139) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19556139
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC NameN-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCCCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-2-3-7-19-10(22)6-8-21-12(9-4-5-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22)
InChIKeySGBYILCRWLOUFA-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]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-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}cyclopentanecarboxamide
CID 2970594
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 7018515
N-Allyl-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]acetamide
CID 4768374
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylacetamide
CID 4768438
N-(Tert-butyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4768984
N-Allyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4769038
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 4769269
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4769815
2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclopropylpropanamide
CID 4770262
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-cyclohexylpropanamide
CID 4770346
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 4770349

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19556139) is N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is CCCCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is SGBYILCRWLOUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-2-3-7-19-10(22)6-8-21-12(9-4-5-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22).
What are the key properties of N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 337.77 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19556139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).