(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine

C16H15FN4 — CID 59038044

IUPAC(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESC[C@@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15FN4/c1-10(18)15-14(11-6-8-19-9-7-11)16(21-20-15)12-2-4-13(17)5-3-12/h2-10H,18H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyDQSNGPRMWCTYEE-SNVBAGLBSA-N
MW282.32 g/mol
LogP3.30
Rot. Bonds3

About (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine

(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine (PubChem CID 59038044) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
PubChem CID59038044
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
SMILESC[C@@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C16H15FN4/c1-10(18)15-14(11-6-8-19-9-7-11)16(21-20-15)12-2-4-13(17)5-3-12/h2-10H,18H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyDQSNGPRMWCTYEE-SNVBAGLBSA-N
XLogP3.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine (CID 59038044) is (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine is C[C@@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
The InChIKey is DQSNGPRMWCTYEE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10(18)15-14(11-6-8-19-9-7-11)16(21-20-15)12-2-4-13(17)5-3-12/h2-10H,18H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine?
(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine has a molecular weight of 282.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 59038044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).