1-(1-phenylmethoxyethyl)pyrazol-4-amine

C12H15N3O — CID 68735596

IUPAC1-(1-phenylmethoxyethyl)pyrazol-4-amine
SMILESCC(OCc1ccccc1)n1cc(N)cn1
InChIInChI=1S/C12H15N3O/c1-10(15-8-12(13)7-14-15)16-9-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3
InChIKeyPGSZUCZUVVTLNS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.20
Rot. Bonds4

About 1-(1-phenylmethoxyethyl)pyrazol-4-amine

1-(1-phenylmethoxyethyl)pyrazol-4-amine (PubChem CID 68735596) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(1-phenylmethoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-phenylmethoxyethyl)pyrazol-4-amine
PubChem CID68735596
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(1-phenylmethoxyethyl)pyrazol-4-amine
SMILESCC(OCc1ccccc1)n1cc(N)cn1
InChIInChI=1S/C12H15N3O/c1-10(15-8-12(13)7-14-15)16-9-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3
InChIKeyPGSZUCZUVVTLNS-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylmethoxyethyl)pyrazol-4-amine?
The IUPAC name of 1-(1-phenylmethoxyethyl)pyrazol-4-amine (CID 68735596) is 1-(1-phenylmethoxyethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1-phenylmethoxyethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1-phenylmethoxyethyl)pyrazol-4-amine is CC(OCc1ccccc1)n1cc(N)cn1.
What is the InChIKey of 1-(1-phenylmethoxyethyl)pyrazol-4-amine?
The InChIKey is PGSZUCZUVVTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10(15-8-12(13)7-14-15)16-9-11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3.
What are the key properties of 1-(1-phenylmethoxyethyl)pyrazol-4-amine?
1-(1-phenylmethoxyethyl)pyrazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylmethoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 68735596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).