2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

C12H15N3O — CID 23377749

IUPAC2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCOc1ccc(Cn2nc(C)cc2N)cc1
InChIInChI=1S/C12H15N3O/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10/h3-7H,8,13H2,1-2H3
InChIKeyNSEQDDGTNOMRHQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine

2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 23377749) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID23377749
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCOc1ccc(Cn2nc(C)cc2N)cc1
InChIInChI=1S/C12H15N3O/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10/h3-7H,8,13H2,1-2H3
InChIKeyNSEQDDGTNOMRHQ-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
5-fluoro-1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449113
4-amino-6-chloro-5-iodo-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 168896400
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
ethyl 3-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]iminobutanoate
CID 172783189
2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-1-phenylethanol
CID 45485612
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine (CID 23377749) is 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is COc1ccc(Cn2nc(C)cc2N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is NSEQDDGTNOMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-12(13)15(14-9)8-10-3-5-11(16-2)6-4-10/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine?
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 23377749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).