4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide

C16H17ClF3N3O2 — CID 14460861

IUPAC4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H17ClF3N3O2/c1-3-12-13(17)14(23(2)22-12)15(24)21-8-10-4-6-11(7-5-10)25-9-16(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYUUNHCIPWDEWGV-UHFFFAOYSA-N
MW375.78 g/mol
LogP3.51
Rot. Bonds6

About 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide

4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 14460861) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID14460861
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC Name4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H17ClF3N3O2/c1-3-12-13(17)14(23(2)22-12)15(24)21-8-10-4-6-11(7-5-10)25-9-16(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyYUUNHCIPWDEWGV-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 14460861) is 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is YUUNHCIPWDEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-3-12-13(17)14(23(2)22-12)15(24)21-8-10-4-6-11(7-5-10)25-9-16(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide?
4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-1-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 14460861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).