1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide

C16H19F3N4O — CID 77083070

IUPAC1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-4-23-13(9-12(22-23)10(2)3)15(24)21-14(16(17,18)19)11-7-5-6-8-20-11/h5-10,14H,4H2,1-3H3,(H,21,24)
InChIKeyOFILIZPFADAHIK-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.45
Rot. Bonds5

About 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide

1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 77083070) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
PubChem CID77083070
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-4-23-13(9-12(22-23)10(2)3)15(24)21-14(16(17,18)19)11-7-5-6-8-20-11/h5-10,14H,4H2,1-3H3,(H,21,24)
InChIKeyOFILIZPFADAHIK-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(2-methylpropyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113328
1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113329
1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 77095074
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-ethyl-4-(4-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114044
1-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103782574
1-ethyl-4-(4-methylphenyl)-N-(1-pyridin-2-ylethyl)pyrrole-2-carboxamide
CID 53200707
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide (CID 77083070) is 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is OFILIZPFADAHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-4-23-13(9-12(22-23)10(2)3)15(24)21-14(16(17,18)19)11-7-5-6-8-20-11/h5-10,14H,4H2,1-3H3,(H,21,24).
What are the key properties of 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide?
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 77083070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).