4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol

C8H15N3O — CID 114554585

IUPAC4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol
SMILESCn1nccc1C(CN)CCO
InChIInChI=1S/C8H15N3O/c1-11-8(2-4-10-11)7(6-9)3-5-12/h2,4,7,12H,3,5-6,9H2,1H3
InChIKeyATIUOVNOVNMPRE-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.16
Rot. Bonds4

About 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol

4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol (PubChem CID 114554585) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol
PubChem CID114554585
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol
SMILESCn1nccc1C(CN)CCO
InChIInChI=1S/C8H15N3O/c1-11-8(2-4-10-11)7(6-9)3-5-12/h2,4,7,12H,3,5-6,9H2,1H3
InChIKeyATIUOVNOVNMPRE-UHFFFAOYSA-N
XLogP-0.16
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82595670
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2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 115029255
2-cyclopropyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83826852
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3-amino-3-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
CID 84774555
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
[1-(aminomethyl)cyclobutyl]-(2-methylpyrazol-3-yl)methanol
CID 102547567
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 105098269

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol (CID 114554585) is 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol is Cn1nccc1C(CN)CCO.
What is the InChIKey of 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol?
The InChIKey is ATIUOVNOVNMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-8(2-4-10-11)7(6-9)3-5-12/h2,4,7,12H,3,5-6,9H2,1H3.
What are the key properties of 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol?
4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 114554585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).