3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide

C13H15ClF3N3O — CID 4769038

IUPAC3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H15ClF3N3O/c1-2-6-18-9(21)5-7-20-11(8-3-4-8)10(14)12(19-20)13(15,16)17/h2,8H,1,3-7H2,(H,18,21)
InChIKeyCHJJSBHHHJYPQD-UHFFFAOYSA-N
MW321.73 g/mol
LogP3.12
Rot. Bonds6

About 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide (PubChem CID 4769038) has the molecular formula C13H15ClF3N3O and a molecular weight of 321.73 g/mol. Its IUPAC name is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
PubChem CID4769038
Molecular FormulaC13H15ClF3N3O
Molecular Weight321.73 g/mol
Exact Mass321.09
IUPAC Name3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C13H15ClF3N3O/c1-2-6-18-9(21)5-7-20-11(8-3-4-8)10(14)12(19-20)13(15,16)17/h2,8H,1,3-7H2,(H,18,21)
InChIKeyCHJJSBHHHJYPQD-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770840
N-(2-cyclohex-1-en-1-ylethyl)-3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 5004965
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
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-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 4768388
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-[3-(dimethylamino)propyl]acetamide
CID 4768572
N-(Tert-butyl)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]propanamide
CID 4768984
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
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 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide (CID 4769038) is 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is CHJJSBHHHJYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O/c1-2-6-18-9(21)5-7-20-11(8-3-4-8)10(14)12(19-20)13(15,16)17/h2,8H,1,3-7H2,(H,18,21).
What are the key properties of 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 321.73 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 4769038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).