4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H13ClF3N3O — CID 4768561

IUPAC4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCC1
InChIInChI=1S/C11H13ClF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyNCVYMMKAVVNPJY-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.76
Rot. Bonds2

About 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4768561) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4768561
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCC1
InChIInChI=1S/C11H13ClF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyNCVYMMKAVVNPJY-UHFFFAOYSA-N
XLogP2.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 70739636
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
N-cyclopentyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236040
4-chloro-N-cyclopentyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768527
4-chloro-N-cyclooctyl-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769852
4-chloro-N-cyclohexyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769853
4-chloro-N-cycloheptyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4769854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4768561) is 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)NC1CCCC1.
What is the InChIKey of 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NCVYMMKAVVNPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4768561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).