(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol

C12H15N3O — CID 65362027

IUPAC(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2N)cc1
InChIInChI=1S/C12H15N3O/c1-8-3-5-9(6-4-8)11(16)10-7-14-15(2)12(10)13/h3-7,11,16H,13H2,1-2H3
InChIKeySFTABSNCDOFZAV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.39
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol

(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol (PubChem CID 65362027) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
PubChem CID65362027
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cnn(C)c2N)cc1
InChIInChI=1S/C12H15N3O/c1-8-3-5-9(6-4-8)11(16)10-7-14-15(2)12(10)13/h3-7,11,16H,13H2,1-2H3
InChIKeySFTABSNCDOFZAV-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(4-methoxyphenyl)methanol
CID 65362246
(5-amino-1-methylpyrazol-4-yl)-(4-cyclobutylphenyl)methanol
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(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726654
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dimethylphenyl)ethanol
CID 65362512
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
(5-amino-1-methylpyrazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 130670447
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
CID 65362465
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
(2-amino-3-methylphenyl)-(4-methylphenyl)methanol
CID 105484724

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol (CID 65362027) is (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cnn(C)c2N)cc1.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol?
The InChIKey is SFTABSNCDOFZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-3-5-9(6-4-8)11(16)10-7-14-15(2)12(10)13/h3-7,11,16H,13H2,1-2H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol?
(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol has a molecular weight of 217.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 65362027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).