[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol

C11H13N3O — CID 115069463

IUPAC[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2ncc(CO)c2N)cc1
InChIInChI=1S/C11H13N3O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-6,15H,7,12H2,1H3
InChIKeyMPLARBLTRRZRGM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.26
Rot. Bonds2

About [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol

[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 115069463) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
PubChem CID115069463
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccc(-n2ncc(CO)c2N)cc1
InChIInChI=1S/C11H13N3O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-6,15H,7,12H2,1H3
InChIKeyMPLARBLTRRZRGM-UHFFFAOYSA-N
XLogP1.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
CID 82171682
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471
2-[5-amino-1-(4-chlorophenyl)pyrazol-4-yl]acetic acid
CID 115069490
2-[5-amino-1-(4-bromophenyl)pyrazol-4-yl]acetic acid
CID 115069491
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
CID 131484759
3-(5-amino-1-pyridin-4-ylpyrazol-4-yl)propan-1-ol
CID 63376804
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
[1-(4-methylphenyl)indazol-5-yl]methanol
CID 134163742
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(4-methylphenyl)methanone
CID 73012259
[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 115069424

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol (CID 115069463) is [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol is Cc1ccc(-n2ncc(CO)c2N)cc1.
What is the InChIKey of [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is MPLARBLTRRZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-2-4-10(5-3-8)14-11(12)9(7-15)6-13-14/h2-6,15H,7,12H2,1H3.
What are the key properties of [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol?
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 115069463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).