4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol

C9H17N3O — CID 79595681

IUPAC4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol
SMILESCc1c(C(CN)CCO)cnn1C
InChIInChI=1S/C9H17N3O/c1-7-9(6-11-12(7)2)8(5-10)3-4-13/h6,8,13H,3-5,10H2,1-2H3
InChIKeyQREFPIXINVGGBQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.15
Rot. Bonds4

About 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol

4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol (PubChem CID 79595681) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol
PubChem CID79595681
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol
SMILESCc1c(C(CN)CCO)cnn1C
InChIInChI=1S/C9H17N3O/c1-7-9(6-11-12(7)2)8(5-10)3-4-13/h6,8,13H,3-5,10H2,1-2H3
InChIKeyQREFPIXINVGGBQ-UHFFFAOYSA-N
XLogP0.15
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol (CID 79595681) is 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol is Cc1c(C(CN)CCO)cnn1C.
What is the InChIKey of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
The InChIKey is QREFPIXINVGGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-9(6-11-12(7)2)8(5-10)3-4-13/h6,8,13H,3-5,10H2,1-2H3.
What are the key properties of 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol?
4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,5-dimethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 79595681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).