3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol

C7H12ClN3O — CID 83829412

IUPAC3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)CCN
InChIInChI=1S/C7H12ClN3O/c1-11-7(5(8)4-10-11)6(12)2-3-9/h4,6,12H,2-3,9H2,1H3
InChIKeyJYLIYZSOKKYQPN-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.46
Rot. Bonds3

About 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol

3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol (PubChem CID 83829412) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
PubChem CID83829412
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
SMILESCn1ncc(Cl)c1C(O)CCN
InChIInChI=1S/C7H12ClN3O/c1-11-7(5(8)4-10-11)6(12)2-3-9/h4,6,12H,2-3,9H2,1H3
InChIKeyJYLIYZSOKKYQPN-UHFFFAOYSA-N
XLogP0.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
CID 115836696
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)sulfanylethanol
CID 114644292
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol (CID 83829412) is 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol is Cn1ncc(Cl)c1C(O)CCN.
What is the InChIKey of 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol?
The InChIKey is JYLIYZSOKKYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-11-7(5(8)4-10-11)6(12)2-3-9/h4,6,12H,2-3,9H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol?
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol has a molecular weight of 189.65 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 83829412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).