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

C11H21N3O — CID 115883095

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
SMILESCc1n[nH]c(C)c1CN(C)CCC(C)O
InChIInChI=1S/C11H21N3O/c1-8(15)5-6-14(4)7-11-9(2)12-13-10(11)3/h8,15H,5-7H2,1-4H3,(H,12,13)
InChIKeyLFAZSDNDWYKXPR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.23
Rot. Bonds5

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

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol (PubChem CID 115883095) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
PubChem CID115883095
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
SMILESCc1n[nH]c(C)c1CN(C)CCC(C)O
InChIInChI=1S/C11H21N3O/c1-8(15)5-6-14(4)7-11-9(2)12-13-10(11)3/h8,15H,5-7H2,1-4H3,(H,12,13)
InChIKeyLFAZSDNDWYKXPR-UHFFFAOYSA-N
XLogP1.23
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol (CID 115883095) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol is Cc1n[nH]c(C)c1CN(C)CCC(C)O.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol?
The InChIKey is LFAZSDNDWYKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(15)5-6-14(4)7-11-9(2)12-13-10(11)3/h8,15H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 115883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).