(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol

C14H19N3O2 — CID 95141112

IUPAC(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
SMILESCN(Cc1ccccc1-n1cccn1)C[C@@H](O)CO
InChIInChI=1S/C14H19N3O2/c1-16(10-13(19)11-18)9-12-5-2-3-6-14(12)17-8-4-7-15-17/h2-8,13,18-19H,9-11H2,1H3/t13-/m1/s1
InChIKeyGHQWSHZJUHRJBJ-CYBMUJFWSA-N
MW261.32 g/mol
LogP0.66
Rot. Bonds6

About (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol

(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol (PubChem CID 95141112) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
PubChem CID95141112
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
SMILESCN(Cc1ccccc1-n1cccn1)C[C@@H](O)CO
InChIInChI=1S/C14H19N3O2/c1-16(10-13(19)11-18)9-12-5-2-3-6-14(12)17-8-4-7-15-17/h2-8,13,18-19H,9-11H2,1H3/t13-/m1/s1
InChIKeyGHQWSHZJUHRJBJ-CYBMUJFWSA-N
XLogP0.66
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol 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

N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
1-[4-[[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]methyl]thiophen-2-yl]ethanone
CID 77079840
N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 72923212
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 91764030
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
1-[2-(pyrazol-1-ylmethyl)phenyl]pyrazole
CID 101492467
3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 56713592
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902343
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol (CID 95141112) is (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol is CN(Cc1ccccc1-n1cccn1)C[C@@H](O)CO.
What is the InChIKey of (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol?
The InChIKey is GHQWSHZJUHRJBJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(10-13(19)11-18)9-12-5-2-3-6-14(12)17-8-4-7-15-17/h2-8,13,18-19H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol?
(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol has a molecular weight of 261.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol is sourced from PubChem (CID 95141112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).