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

C11H12F3N5O — CID 19262404

IUPAC1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H12F3N5O/c1-3-19-5-4-7(18-19)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyTVCODCWMSCZBMY-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.21
Rot. Bonds3

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

1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19262404) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19262404
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1
InChIInChI=1S/C11H12F3N5O/c1-3-19-5-4-7(18-19)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyTVCODCWMSCZBMY-UHFFFAOYSA-N
XLogP2.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 19262404) is 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2c(C(F)(F)F)n[nH]c2C)n1.
What is the InChIKey of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is TVCODCWMSCZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-19-5-4-7(18-19)10(20)15-8-6(2)16-17-9(8)11(12,13)14/h4-5H,3H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19262404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).