4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

C11H11ClF3N5O — CID 19263524

IUPAC4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H11ClF3N5O/c1-3-20-4-6(12)8(19-20)10(21)16-7-5(2)17-18-9(7)11(13,14)15/h4H,3H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyLXSVXDKDRSLNOC-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.86
Rot. Bonds3

About 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19263524) has the molecular formula C11H11ClF3N5O and a molecular weight of 321.69 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19263524
Molecular FormulaC11H11ClF3N5O
Molecular Weight321.69 g/mol
Exact Mass321.06
IUPAC Name4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H11ClF3N5O/c1-3-20-4-6(12)8(19-20)10(21)16-7-5(2)17-18-9(7)11(13,14)15/h4H,3H2,1-2H3,(H,16,21)(H,17,18)
InChIKeyLXSVXDKDRSLNOC-UHFFFAOYSA-N
XLogP2.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 19263524) is 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is LXSVXDKDRSLNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5O/c1-3-20-4-6(12)8(19-20)10(21)16-7-5(2)17-18-9(7)11(13,14)15/h4H,3H2,1-2H3,(H,16,21)(H,17,18).
What are the key properties of 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 321.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).