3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

C11H12F3N5O2 — CID 95741259

IUPAC3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H12F3N5O2/c1-2-21-9-3-8(17-18-9)10(20)16-7-4-15-19(5-7)6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,20)(H,17,18)
InChIKeyASELEMXFHCVNOJ-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.82
Rot. Bonds5

About 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide

3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 95741259) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID95741259
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)[nH]n1
InChIInChI=1S/C11H12F3N5O2/c1-2-21-9-3-8(17-18-9)10(20)16-7-4-15-19(5-7)6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,20)(H,17,18)
InChIKeyASELEMXFHCVNOJ-UHFFFAOYSA-N
XLogP1.82
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741112
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 110278355
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406
2-amino-3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pentanamide
CID 119796075
2-(2-methoxyethylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 119796081
4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 43643732
4-chloro-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 135523664
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 166327015
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95741087
2-(2-bromophenoxy)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 110278322

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide (CID 95741259) is 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)[nH]n1.
What is the InChIKey of 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is ASELEMXFHCVNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-2-21-9-3-8(17-18-9)10(20)16-7-4-15-19(5-7)6-11(12,13)14/h3-5H,2,6H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide?
3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95741259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).