4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C8H9ClF3N3O — CID 121498753

IUPAC4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O/c1-4-5(9)6(14-13-4)7(16)15(2)3-8(10,11)12/h3H2,1-2H3,(H,13,14)
InChIKeyXZVOTYIOLPZMJO-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.01
Rot. Bonds2

About 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 121498753) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID121498753
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O/c1-4-5(9)6(14-13-4)7(16)15(2)3-8(10,11)12/h3H2,1-2H3,(H,13,14)
InChIKeyXZVOTYIOLPZMJO-UHFFFAOYSA-N
XLogP2.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 121498753) is 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CC(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XZVOTYIOLPZMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-4-5(9)6(14-13-4)7(16)15(2)3-8(10,11)12/h3H2,1-2H3,(H,13,14).
What are the key properties of 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 255.63 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 121498753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).