N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide

C14H16ClFN4O — CID 69261352

IUPACN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H16ClFN4O/c1-4-19(14(21)9(2)3)12-8-20(18-13(12)15)11-5-10(16)6-17-7-11/h5-9H,4H2,1-3H3
InChIKeyWLQVJFUENQGXAJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.07
Rot. Bonds4

About N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide

N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide (PubChem CID 69261352) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide
PubChem CID69261352
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC NameN-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C14H16ClFN4O/c1-4-19(14(21)9(2)3)12-8-20(18-13(12)15)11-5-10(16)6-17-7-11/h5-9H,4H2,1-3H3
InChIKeyWLQVJFUENQGXAJ-UHFFFAOYSA-N
XLogP3.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide (CID 69261352) is N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide is CCN(C(=O)C(C)C)c1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide?
The InChIKey is WLQVJFUENQGXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-4-19(14(21)9(2)3)12-8-20(18-13(12)15)11-5-10(16)6-17-7-11/h5-9H,4H2,1-3H3.
What are the key properties of N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide?
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide has a molecular weight of 310.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 69261352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).