2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol

C9H16ClN3O — CID 114666046

IUPAC2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-4-11-6-9(2,14)8-7(10)5-12-13(8)3/h5,11,14H,4,6H2,1-3H3
InChIKeyOAGBKFKJAWOHEG-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.89
Rot. Bonds4

About 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol

2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol (PubChem CID 114666046) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
PubChem CID114666046
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-4-11-6-9(2,14)8-7(10)5-12-13(8)3/h5,11,14H,4,6H2,1-3H3
InChIKeyOAGBKFKJAWOHEG-UHFFFAOYSA-N
XLogP0.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(tert-butylamino)-2-(4-chloro-1-methylpyrazol-5-yl)propan-2-ol
CID 114666103
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
3-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylbutan-1-amine
CID 114667026
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
2-(4-chloro-1-methylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633954
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666040
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
1-(4-chloro-1-methylpyrazol-5-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 114669017
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
5-(4-bromo-2-methylpentan-2-yl)-4-chloro-1-methylpyrazole
CID 114665602

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol (CID 114666046) is 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1c(Cl)cnn1C.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
The InChIKey is OAGBKFKJAWOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-4-11-6-9(2,14)8-7(10)5-12-13(8)3/h5,11,14H,4,6H2,1-3H3.
What are the key properties of 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol?
2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol has a molecular weight of 217.70 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 114666046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).