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

C11H21N3O — CID 64550985

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O/c1-5-11(4,7-15)12-6-10-8(2)13-14-9(10)3/h12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeySTRTUTRKLNMTME-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.28
Rot. Bonds5

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

2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 64550985) 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)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
PubChem CID64550985
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1c(C)n[nH]c1C
InChIInChI=1S/C11H21N3O/c1-5-11(4,7-15)12-6-10-8(2)13-14-9(10)3/h12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeySTRTUTRKLNMTME-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
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)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol (CID 64550985) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1c(C)n[nH]c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is STRTUTRKLNMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-11(4,7-15)12-6-10-8(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)methylamino]-2-methylbutan-1-ol?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.28, 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)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 64550985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).