2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol

C11H21N3O — CID 81412490

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O/c1-5-11(4,7-15)6-12-10-8(2)13-14-9(10)3/h12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyFHLLCJRGPKXGJT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.85
Rot. Bonds5

About 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 81412490) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol
PubChem CID81412490
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O/c1-5-11(4,7-15)6-12-10-8(2)13-14-9(10)3/h12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyFHLLCJRGPKXGJT-UHFFFAOYSA-N
XLogP1.85
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol (CID 81412490) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNc1c(C)n[nH]c1C.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is FHLLCJRGPKXGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-11(4,7-15)6-12-10-8(2)13-14-9(10)3/h12,15H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).