1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol

C9H17N3O — CID 66037685

IUPAC1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(O)CN)cn1
InChIInChI=1S/C9H17N3O/c1-3-12-6-8(5-11-12)4-9(2,13)7-10/h5-6,13H,3-4,7,10H2,1-2H3
InChIKeyHDYUVXYYMMSVPU-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.16
Rot. Bonds4

About 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol

1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol (PubChem CID 66037685) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
PubChem CID66037685
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
SMILESCCn1cc(CC(C)(O)CN)cn1
InChIInChI=1S/C9H17N3O/c1-3-12-6-8(5-11-12)4-9(2,13)7-10/h5-6,13H,3-4,7,10H2,1-2H3
InChIKeyHDYUVXYYMMSVPU-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
N'-[(1-ethylpyrazol-4-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652366
2-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 81020936
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
CID 55041328
2-[(1-ethylpyrazol-4-yl)methyl]-2-phenylbutan-1-amine
CID 62723308
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
1,4-diethylpyrazole;ethane
CID 143641951
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
3-amino-2-(1-ethylpyrazol-4-yl)butan-2-ol
CID 130574320
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol (CID 66037685) is 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol is CCn1cc(CC(C)(O)CN)cn1.
What is the InChIKey of 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol?
The InChIKey is HDYUVXYYMMSVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-12-6-8(5-11-12)4-9(2,13)7-10/h5-6,13H,3-4,7,10H2,1-2H3.
What are the key properties of 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol?
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol has a molecular weight of 183.25 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 1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66037685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).