3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine

C13H16FN3 — CID 63279067

IUPAC3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H16FN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2
InChIKeyOKFCPQRBTURRQK-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.96
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine

3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 63279067) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID63279067
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H16FN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2
InChIKeyOKFCPQRBTURRQK-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 63279067) is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine is NCCCc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is OKFCPQRBTURRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-13-5-1-3-11(7-13)9-17-10-12(8-16-17)4-2-6-15/h1,3,5,7-8,10H,2,4,6,9,15H2.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 233.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63279067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).