3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine

C15H14N4O — CID 10730467

IUPAC3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
SMILESNc1ncccc1COc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4O/c16-15-12(7-4-8-17-15)10-20-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H2,16,17)(H,18,19)
InChIKeyXAMPGVGQUGNRQS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds4

About 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine

3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine (PubChem CID 10730467) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
PubChem CID10730467
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
SMILESNc1ncccc1COc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C15H14N4O/c16-15-12(7-4-8-17-15)10-20-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H2,16,17)(H,18,19)
InChIKeyXAMPGVGQUGNRQS-UHFFFAOYSA-N
XLogP2.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The IUPAC name of 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine (CID 10730467) is 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine is Nc1ncccc1COc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The InChIKey is XAMPGVGQUGNRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15-12(7-4-8-17-15)10-20-14-9-13(18-19-14)11-5-2-1-3-6-11/h1-9H,10H2,(H2,16,17)(H,18,19).
What are the key properties of 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine has a molecular weight of 266.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 10730467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).