3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol

C9H17N3O — CID 130574269

IUPAC3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
SMILESCCn1nccc1C(C)(O)C(C)N
InChIInChI=1S/C9H17N3O/c1-4-12-8(5-6-11-12)9(3,13)7(2)10/h5-7,13H,4,10H2,1-3H3
InChIKeyIXEZDVDOHCSKDH-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.46
Rot. Bonds3

About 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol

3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol (PubChem CID 130574269) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
PubChem CID130574269
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
SMILESCCn1nccc1C(C)(O)C(C)N
InChIInChI=1S/C9H17N3O/c1-4-12-8(5-6-11-12)9(3,13)7(2)10/h5-7,13H,4,10H2,1-3H3
InChIKeyIXEZDVDOHCSKDH-UHFFFAOYSA-N
XLogP0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
CID 115401007
4-(2-ethylpyrazol-3-yl)-4-methylpentan-2-ol
CID 64715983
3-amino-2-(2-ethylpyrazol-3-yl)-1,1,1-trifluoropentan-2-ol
CID 63974655
2-(2-ethylpyrazol-3-yl)-2,2-difluoroacetic acid
CID 63977186
2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379
1-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114059360
3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114910961
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
3-amino-1-(2-ethylpyrazol-3-yl)-5,5-dimethylhexan-1-one
CID 116614577
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol (CID 130574269) is 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol is CCn1nccc1C(C)(O)C(C)N.
What is the InChIKey of 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol?
The InChIKey is IXEZDVDOHCSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12-8(5-6-11-12)9(3,13)7(2)10/h5-7,13H,4,10H2,1-3H3.
What are the key properties of 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol?
3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 130574269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).