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

C10H13ClF3N3O — CID 4772700

IUPAC4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H13ClF3N3O/c1-4-17(5-2)9(18)7-6(11)8(10(12,13)14)15-16(7)3/h4-5H2,1-3H3
InChIKeyPERGIDBKUVENED-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.57
Rot. Bonds3

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

4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4772700) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4772700
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1c(Cl)c(C(F)(F)F)nn1C
InChIInChI=1S/C10H13ClF3N3O/c1-4-17(5-2)9(18)7-6(11)8(10(12,13)14)15-16(7)3/h4-5H2,1-3H3
InChIKeyPERGIDBKUVENED-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 844749
(4-Chloro-1,5-dimethylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 841673
4-chloro-N-cyclopentyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 832003
(4-Chloro-2,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1236013
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
4-chloro-N-cyclopentyl-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4768561
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
CID 14928275
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4772700) is 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCN(CC)C(=O)c1c(Cl)c(C(F)(F)F)nn1C.
What is the InChIKey of 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is PERGIDBKUVENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-4-17(5-2)9(18)7-6(11)8(10(12,13)14)15-16(7)3/h4-5H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 283.68 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4772700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).