1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine

C15H13FN4 — CID 83222946

IUPAC1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(Cc2cccc(F)c2)nc1-c1ccncc1
InChIInChI=1S/C15H13FN4/c16-13-3-1-2-11(8-13)9-20-10-14(17)15(19-20)12-4-6-18-7-5-12/h1-8,10H,9,17H2
InChIKeyMNTXPIVUSVLRMZ-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.71
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine

1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine (PubChem CID 83222946) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
PubChem CID83222946
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
SMILESNc1cn(Cc2cccc(F)c2)nc1-c1ccncc1
InChIInChI=1S/C15H13FN4/c16-13-3-1-2-11(8-13)9-20-10-14(17)15(19-20)12-4-6-18-7-5-12/h1-8,10H,9,17H2
InChIKeyMNTXPIVUSVLRMZ-UHFFFAOYSA-N
XLogP2.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine 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

3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
CID 83223172
3-(4-bromophenyl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83205131
3-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204745
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[(3-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758609
1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222787
2-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338073
1-[(3-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63279058
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
3-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83223400
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine (CID 83222946) is 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine is Nc1cn(Cc2cccc(F)c2)nc1-c1ccncc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine?
The InChIKey is MNTXPIVUSVLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-3-1-2-11(8-13)9-20-10-14(17)15(19-20)12-4-6-18-7-5-12/h1-8,10H,9,17H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine?
1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine has a molecular weight of 268.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine is sourced from PubChem (CID 83222946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).