1-[(4-ethylphenoxy)methyl]pyrazol-4-amine

C12H15N3O — CID 7017257

IUPAC1-[(4-ethylphenoxy)methyl]pyrazol-4-amine
SMILESCCc1ccc(OCn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-10-3-5-12(6-4-10)16-9-15-8-11(13)7-14-15/h3-8H,2,9,13H2,1H3
InChIKeyUCCPXDFAFSBJBC-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.06
Rot. Bonds4

About 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine

1-[(4-ethylphenoxy)methyl]pyrazol-4-amine (PubChem CID 7017257) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-ethylphenoxy)methyl]pyrazol-4-amine
PubChem CID7017257
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(4-ethylphenoxy)methyl]pyrazol-4-amine
SMILESCCc1ccc(OCn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-10-3-5-12(6-4-10)16-9-15-8-11(13)7-14-15/h3-8H,2,9,13H2,1H3
InChIKeyUCCPXDFAFSBJBC-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine (CID 7017257) is 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine is CCc1ccc(OCn2cc(N)cn2)cc1.
What is the InChIKey of 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine?
The InChIKey is UCCPXDFAFSBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-10-3-5-12(6-4-10)16-9-15-8-11(13)7-14-15/h3-8H,2,9,13H2,1H3.
What are the key properties of 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine?
1-[(4-ethylphenoxy)methyl]pyrazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenoxy)methyl]pyrazol-4-amine is sourced from PubChem (CID 7017257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).