4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine

C15H14N4O — CID 10563696

IUPAC4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
SMILESNc1cc(COc2cc(-c3ccccc3)[nH]n2)ccn1
InChIInChI=1S/C15H14N4O/c16-14-8-11(6-7-17-14)10-20-15-9-13(18-19-15)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)(H,18,19)
InChIKeyFKKFMPWGQQHVSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.63
Rot. Bonds4

About 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine

4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine (PubChem CID 10563696) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
PubChem CID10563696
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine
SMILESNc1cc(COc2cc(-c3ccccc3)[nH]n2)ccn1
InChIInChI=1S/C15H14N4O/c16-14-8-11(6-7-17-14)10-20-15-9-13(18-19-15)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)(H,18,19)
InChIKeyFKKFMPWGQQHVSQ-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 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The IUPAC name of 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine (CID 10563696) is 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine is Nc1cc(COc2cc(-c3ccccc3)[nH]n2)ccn1.
What is the InChIKey of 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
The InChIKey is FKKFMPWGQQHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-14-8-11(6-7-17-14)10-20-15-9-13(18-19-15)12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)(H,18,19).
What are the key properties of 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine?
4-[(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 4-[(5-phenyl-1H-pyrazol-3-yl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 10563696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).