[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol

C11H14N4O2 — CID 115056455

IUPAC[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1cccc(-n2nc(N)c(CO)c2N)c1
InChIInChI=1S/C11H14N4O2/c1-17-8-4-2-3-7(5-8)15-11(13)9(6-16)10(12)14-15/h2-5,16H,6,13H2,1H3,(H2,12,14)
InChIKeyGLKYHJWSMLQTKJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.54
Rot. Bonds3

About [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol

[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol (PubChem CID 115056455) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
PubChem CID115056455
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
SMILESCOc1cccc(-n2nc(N)c(CO)c2N)c1
InChIInChI=1S/C11H14N4O2/c1-17-8-4-2-3-7(5-8)15-11(13)9(6-16)10(12)14-15/h2-5,16H,6,13H2,1H3,(H2,12,14)
InChIKeyGLKYHJWSMLQTKJ-UHFFFAOYSA-N
XLogP0.54
TPSA99.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
CID 115056385
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-(3-methoxyphenyl)-5-propan-2-yltriazol-4-amine
CID 79501179
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027

Frequently Asked Questions

What is the IUPAC name of [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol (CID 115056455) is [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol is COc1cccc(-n2nc(N)c(CO)c2N)c1.
What is the InChIKey of [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol?
The InChIKey is GLKYHJWSMLQTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-8-4-2-3-7(5-8)15-11(13)9(6-16)10(12)14-15/h2-5,16H,6,13H2,1H3,(H2,12,14).
What are the key properties of [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol?
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 115056455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).