5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine

C18H15FN4 — CID 22037299

IUPAC5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESC#CCN(C)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H15FN4/c1-3-12-23(2)18-16(13-8-10-20-11-9-13)17(21-22-18)14-4-6-15(19)7-5-14/h1,4-11H,12H2,2H3,(H,21,22)
InChIKeyODMIMVUNXFQHOJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.35
Rot. Bonds4

About 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 22037299) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID22037299
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESC#CCN(C)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H15FN4/c1-3-12-23(2)18-16(13-8-10-20-11-9-13)17(21-22-18)14-4-6-15(19)7-5-14/h1,4-11H,12H2,2H3,(H,21,22)
InChIKeyODMIMVUNXFQHOJ-UHFFFAOYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine 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 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 22037299) is 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine is C#CCN(C)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is ODMIMVUNXFQHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-3-12-23(2)18-16(13-8-10-20-11-9-13)17(21-22-18)14-4-6-15(19)7-5-14/h1,4-11H,12H2,2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 306.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-prop-2-ynyl-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 22037299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).