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

C12H15N3O — CID 82285149

IUPAC1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(Cn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)8-15-9-11(13)7-14-15/h3-7,9H,2,8,13H2,1H3
InChIKeyBLNUKBAPCZQPBC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds4

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

1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 82285149) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
PubChem CID82285149
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
SMILESCCOc1ccc(Cn2cc(N)cn2)cc1
InChIInChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)8-15-9-11(13)7-14-15/h3-7,9H,2,8,13H2,1H3
InChIKeyBLNUKBAPCZQPBC-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
ethyl 1-[[4-(iodomethoxy)phenyl]methyl]pyrazole-4-carboxylate
CID 166964963
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060
[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114273801
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 82294764
ethyl 1-[[4-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl]pyrazole-4-carboxylate
CID 156771833
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine (CID 82285149) is 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine is CCOc1ccc(Cn2cc(N)cn2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is BLNUKBAPCZQPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-16-12-5-3-10(4-6-12)8-15-9-11(13)7-14-15/h3-7,9H,2,8,13H2,1H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine?
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 82285149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).