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

C12H23N3O — CID 115751874

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O/c1-5-12(4,8-16)7-13-6-11-9(2)14-15-10(11)3/h13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyUWMLUGHPCIQPKT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.52
Rot. Bonds6

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

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 115751874) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol
PubChem CID115751874
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1c(C)n[nH]c1C
InChIInChI=1S/C12H23N3O/c1-5-12(4,8-16)7-13-6-11-9(2)14-15-10(11)3/h13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyUWMLUGHPCIQPKT-UHFFFAOYSA-N
XLogP1.52
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.52
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]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol (CID 115751874) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCc1c(C)n[nH]c1C.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is UWMLUGHPCIQPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(4,8-16)7-13-6-11-9(2)14-15-10(11)3/h13,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.52, 6 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]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 115751874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).