4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol

C8H15N3O — CID 82412763

IUPAC4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol
SMILESCc1[nH]ncc1C(C)(O)CCN
InChIInChI=1S/C8H15N3O/c1-6-7(5-10-11-6)8(2,12)3-4-9/h5,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyAHEKJWUOVJEEOB-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol

4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol (PubChem CID 82412763) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol
PubChem CID82412763
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol
SMILESCc1[nH]ncc1C(C)(O)CCN
InChIInChI=1S/C8H15N3O/c1-6-7(5-10-11-6)8(2,12)3-4-9/h5,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyAHEKJWUOVJEEOB-UHFFFAOYSA-N
XLogP0.27
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-pyrazol-3-yl)propan-2-ol
CID 53689075
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 58230786
(5-ethyl-1H-pyrazol-4-yl)methanol
CID 66440409
(5-cyclopropyl-1H-pyrazol-4-yl)methanol
CID 66442627
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-ol
CID 175925910
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-1h-pyrazol-4-yl)propan-2-ol
CID 83384965
(1R)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615620
(1S)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615621
2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butan-1-ol
CID 112485358
3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 112487384
1-(3-tert-butyl-1H-pyrazol-4-yl)-2,2-difluoroethan-1-ol
CID 165632586

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol?
The IUPAC name of 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol (CID 82412763) is 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol?
The canonical SMILES for 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol is Cc1[nH]ncc1C(C)(O)CCN.
What is the InChIKey of 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol?
The InChIKey is AHEKJWUOVJEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(5-10-11-6)8(2,12)3-4-9/h5,12H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol?
4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol has a molecular weight of 169.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1H-pyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 82412763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).