2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide

C14H15F3N4O — CID 4867339

IUPAC2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1ccncc1
InChIInChI=1S/C14H15F3N4O/c1-9(13(22)19-11-3-5-18-6-4-11)8-21-10(2)7-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,18,19,22)
InChIKeyCXWZINKJINQVCE-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide

2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide (PubChem CID 4867339) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
PubChem CID4867339
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1ccncc1
InChIInChI=1S/C14H15F3N4O/c1-9(13(22)19-11-3-5-18-6-4-11)8-21-10(2)7-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,18,19,22)
InChIKeyCXWZINKJINQVCE-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide (CID 4867339) is 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide is Cc1cc(C(F)(F)F)nn1CC(C)C(=O)Nc1ccncc1.
What is the InChIKey of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is CXWZINKJINQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9(13(22)19-11-3-5-18-6-4-11)8-21-10(2)7-12(20-21)14(15,16)17/h3-7,9H,8H2,1-2H3,(H,18,19,22).
What are the key properties of 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide?
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 312.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 4867339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).