4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol

C9H17N3O — CID 82407071

IUPAC4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol
SMILESCc1c(C(C)(O)CCN)cnn1C
InChIInChI=1S/C9H17N3O/c1-7-8(6-11-12(7)3)9(2,13)4-5-10/h6,13H,4-5,10H2,1-3H3
InChIKeyZISDSRWMKNJXLX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds3

About 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol

4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol (PubChem CID 82407071) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol
PubChem CID82407071
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol
SMILESCc1c(C(C)(O)CCN)cnn1C
InChIInChI=1S/C9H17N3O/c1-7-8(6-11-12(7)3)9(2,13)4-5-10/h6,13H,4-5,10H2,1-3H3
InChIKeyZISDSRWMKNJXLX-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Tert-butyl-1-propan-2-ylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 126749933
1,1,1-Trifluoro-2-(5-methyl-1-propan-2-ylpyrazol-4-yl)propan-2-ol
CID 126758599
1,1,1-Trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
CID 126758601
N-[1,1,1-trifluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]butan-2-yl]oxymethanamine
CID 169610655
1-(1,5-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 79584950
1-(1,3-Dimethylpyrazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 83091280
4-Amino-1,1,1-trifluoro-2-(2-methylpyrazol-3-yl)butan-2-ol
CID 83917835
(1R)-3-amino-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96886695
(1S)-3-amino-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96886696
1-(3-Ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 112670830
1-(3-Ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol
CID 112670831
3-Amino-1,1,1-trifluoro-2-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 121597257

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol (CID 82407071) is 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol is Cc1c(C(C)(O)CCN)cnn1C.
What is the InChIKey of 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol?
The InChIKey is ZISDSRWMKNJXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-8(6-11-12(7)3)9(2,13)4-5-10/h6,13H,4-5,10H2,1-3H3.
What are the key properties of 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol?
4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,5-dimethylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 82407071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).