N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide

C14H19ClF3N3O — CID 19325664

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide
SMILESCCCC(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-2-4-10(22)19-7-3-8-21-12(9-5-6-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22)
InChIKeyFCHNYIBBYFYCHD-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.74
Rot. Bonds7

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

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide (PubChem CID 19325664) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide
PubChem CID19325664
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide
SMILESCCCC(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C14H19ClF3N3O/c1-2-4-10(22)19-7-3-8-21-12(9-5-6-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22)
InChIKeyFCHNYIBBYFYCHD-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'}

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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
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
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-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide (CID 19325664) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide is CCCC(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide?
The InChIKey is FCHNYIBBYFYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-2-4-10(22)19-7-3-8-21-12(9-5-6-9)11(15)13(20-21)14(16,17)18/h9H,2-8H2,1H3,(H,19,22).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide 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-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butanamide is sourced from PubChem (CID 19325664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).