2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol

C12H23N3O — CID 109482003

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cn(C)nc1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,9-16)13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3
InChIKeyROOWIMWGLWUDPD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds6

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 109482003) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
PubChem CID109482003
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1cn(C)nc1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,9-16)13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3
InChIKeyROOWIMWGLWUDPD-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol 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-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
2-methyl-2-[(2-methylphenyl)methylamino]pentan-1-ol
CID 111432021
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 115991321
2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
CID 115990104
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutanamide
CID 112738020
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 115885710
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115767853
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 111916693
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol (CID 109482003) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NCc1cn(C)nc1C.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is ROOWIMWGLWUDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-12(3,9-16)13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3.
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 109482003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).