[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol

C12H15N3O2 — CID 174330913

IUPAC[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)c(N)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-15-7-10(8-16)12(13)14-15/h2-5,7,16H,6,8H2,1H3,(H2,13,14)
InChIKeyITFIZXSHZMBJBG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.01
Rot. Bonds4

About [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol

[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 174330913) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID174330913
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)c(N)n2)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-15-7-10(8-16)12(13)14-15/h2-5,7,16H,6,8H2,1H3,(H2,13,14)
InChIKeyITFIZXSHZMBJBG-UHFFFAOYSA-N
XLogP1.01
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 138111408
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 175634319
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
1-[3-(1-hydroxypropyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668568
(4-methoxyphenyl)methanol
CID 7738
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
1-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carbothioamide
CID 62949986
sodium;hydride;1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-3-sulfinic acid
CID 175439861
1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
CID 145071423

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol (CID 174330913) is [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol is COc1ccc(Cn2cc(CO)c(N)n2)cc1.
What is the InChIKey of [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is ITFIZXSHZMBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-4-2-9(3-5-11)6-15-7-10(8-16)12(13)14-15/h2-5,7,16H,6,8H2,1H3,(H2,13,14).
What are the key properties of [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol?
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 174330913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).