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

C9H17N3O — CID 103006669

IUPAC1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(C)(O)CN)cn1
InChIInChI=1S/C9H17N3O/c1-9(13,7-10)4-3-8-5-11-12(2)6-8/h5-6,13H,3-4,7,10H2,1-2H3
InChIKeyJCCLTKJRLVHHQT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.06
Rot. Bonds4

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

1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103006669) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103006669
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(C)(O)CN)cn1
InChIInChI=1S/C9H17N3O/c1-9(13,7-10)4-3-8-5-11-12(2)6-8/h5-6,13H,3-4,7,10H2,1-2H3
InChIKeyJCCLTKJRLVHHQT-UHFFFAOYSA-N
XLogP0.06
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180
2-(aminomethyl)-4-(1-methylpyrazol-4-yl)-2-phenylbutanoic acid
CID 106489399
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
(2S)-1-amino-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 95396406
2-(2,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103005838
N-tert-butyl-2,2-dimethyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014439

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103006669) is 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol is Cn1cc(CCC(C)(O)CN)cn1.
What is the InChIKey of 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is JCCLTKJRLVHHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(13,7-10)4-3-8-5-11-12(2)6-8/h5-6,13H,3-4,7,10H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103006669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).