3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol

C8H15N3O — CID 82598008

IUPAC3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(N)CCO)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6-5-8(11(2)10-6)7(9)3-4-12/h5,7,12H,3-4,9H2,1-2H3
InChIKeyKNUBEYSJJWAUCF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.11
Rot. Bonds3

About 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol

3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol (PubChem CID 82598008) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
PubChem CID82598008
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
SMILESCc1cc(C(N)CCO)n(C)n1
InChIInChI=1S/C8H15N3O/c1-6-5-8(11(2)10-6)7(9)3-4-12/h5,7,12H,3-4,9H2,1-2H3
InChIKeyKNUBEYSJJWAUCF-UHFFFAOYSA-N
XLogP0.11
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
3-amino-1-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 82598009
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)ethanamine
CID 105091850
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
5-heptan-4-yl-1,3-dimethylpyrazole
CID 143472478
3-amino-2-(2,5-dimethylpyrazol-3-yl)propanoic acid
CID 82601652
1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
CID 105110508
1-(2,5-dimethylpyrazol-3-yl)-5-methylhexan-1-ol
CID 105122769
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
1-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropan-1-ol
CID 105096744
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol (CID 82598008) is 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol is Cc1cc(C(N)CCO)n(C)n1.
What is the InChIKey of 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
The InChIKey is KNUBEYSJJWAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-5-8(11(2)10-6)7(9)3-4-12/h5,7,12H,3-4,9H2,1-2H3.
What are the key properties of 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol?
3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 82598008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).