[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol

C12H15N3O — CID 115069601

IUPAC[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccccc1Cn1ncc(CO)c1N
InChIInChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8,13H2,1H3
InChIKeyGRYHWKQHSKQLMX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.31
Rot. Bonds3

About [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol

[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 115069601) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID115069601
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccccc1Cn1ncc(CO)c1N
InChIInChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8,13H2,1H3
InChIKeyGRYHWKQHSKQLMX-UHFFFAOYSA-N
XLogP1.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 66437469
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
CID 119089149
[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
CID 99988035
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
5-amino-1-[(2-hydroxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 115069637
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441388
1-(1-benzofuran-3-ylmethyl)-4-methylpyrazol-5-amine
CID 80703408
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
2-[5-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 115069639
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol (CID 115069601) is [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol is Cc1ccccc1Cn1ncc(CO)c1N.
What is the InChIKey of [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is GRYHWKQHSKQLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-2-3-5-10(9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8,13H2,1H3.
What are the key properties of [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 217.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 115069601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).