2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline

C14H11FN4 — CID 104738903

IUPAC2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1ccccc1-c1cnn(-c2ccncc2F)c1
InChIInChI=1S/C14H11FN4/c15-12-8-17-6-5-14(12)19-9-10(7-18-19)11-3-1-2-4-13(11)16/h1-9H,16H2
InChIKeyODKMLJBAZNAGDH-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.66
Rot. Bonds2

About 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline

2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline (PubChem CID 104738903) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline
PubChem CID104738903
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline
SMILESNc1ccccc1-c1cnn(-c2ccncc2F)c1
InChIInChI=1S/C14H11FN4/c15-12-8-17-6-5-14(12)19-9-10(7-18-19)11-3-1-2-4-13(11)16/h1-9H,16H2
InChIKeyODKMLJBAZNAGDH-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline 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

2-[1-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]aniline
CID 115993989
4-(4-bromopyrazol-1-yl)-3-fluoropyridine
CID 118450422
3-bromo-4-(4-phenylpyrazol-1-yl)pyridine
CID 104778680
2-[1-(1,3-benzoxazol-2-yl)pyrazol-4-yl]aniline
CID 63338651
3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile
CID 63338608
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrazol-4-yl)aniline
CID 115372920
2-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]aniline
CID 63338130
2-(1-imidazo[1,2-a]pyridin-5-ylpyrazol-4-yl)aniline
CID 102626693
5-fluoro-4-methyl-2-(4-phenylpyrazol-1-yl)aniline
CID 103590874
4-[1-(3-bromo-4-pyridinyl)pyrazol-4-yl]aniline
CID 104777835
2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 63338477
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline?
The IUPAC name of 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline (CID 104738903) is 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline?
The canonical SMILES for 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline is Nc1ccccc1-c1cnn(-c2ccncc2F)c1.
What is the InChIKey of 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline?
The InChIKey is ODKMLJBAZNAGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-12-8-17-6-5-14(12)19-9-10(7-18-19)11-3-1-2-4-13(11)16/h1-9H,16H2.
What are the key properties of 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline?
2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline has a molecular weight of 254.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 104738903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).