(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol

C8H15N3O2 — CID 165487520

IUPAC(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
SMILESCn1cc(CNC[C@@H](O)CO)cn1
InChIInChI=1S/C8H15N3O2/c1-11-5-7(3-10-11)2-9-4-8(13)6-12/h3,5,8-9,12-13H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyGTNQNCDRTSQGHI-MRVPVSSYSA-N
MW185.23 g/mol
LogP-1.14
Rot. Bonds5

About (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol

(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol (PubChem CID 165487520) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
PubChem CID165487520
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
SMILESCn1cc(CNC[C@@H](O)CO)cn1
InChIInChI=1S/C8H15N3O2/c1-11-5-7(3-10-11)2-9-4-8(13)6-12/h3,5,8-9,12-13H,2,4,6H2,1H3/t8-/m1/s1
InChIKeyGTNQNCDRTSQGHI-MRVPVSSYSA-N
XLogP-1.14
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(1-methylpyrazol-4-yl)methylamino]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

1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61351185
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349089
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
2-(2-methylpropylsulfanyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115768938
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]propane-1,2-diol
CID 103729979

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol (CID 165487520) is (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol is Cn1cc(CNC[C@@H](O)CO)cn1.
What is the InChIKey of (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol?
The InChIKey is GTNQNCDRTSQGHI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-11-5-7(3-10-11)2-9-4-8(13)6-12/h3,5,8-9,12-13H,2,4,6H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol?
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol has a molecular weight of 185.23 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 165487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).