2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol

C12H23ClN4O — CID 114666035

IUPAC2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C12H23ClN4O/c1-5-14-9-12(2,18)11-10(13)8-15-17(11)7-6-16(3)4/h8,14,18H,5-7,9H2,1-4H3
InChIKeySUFJFXSLEKZCQH-UHFFFAOYSA-N
MW274.80 g/mol
LogP0.92
Rot. Bonds7

About 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol (PubChem CID 114666035) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
PubChem CID114666035
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
SMILESCCNCC(C)(O)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C12H23ClN4O/c1-5-14-9-12(2,18)11-10(13)8-15-17(11)7-6-16(3)4/h8,14,18H,5-7,9H2,1-4H3
InChIKeySUFJFXSLEKZCQH-UHFFFAOYSA-N
XLogP0.92
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666046
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
CID 114636632
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
CID 114865114
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(5-methylthiophen-2-yl)ethanol
CID 114910706
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 114635759
1-(tert-butylamino)-2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]propan-2-ol
CID 114666096
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol?
The IUPAC name of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol (CID 114666035) is 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol.
What is the SMILES notation for 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol?
The canonical SMILES for 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol is CCNCC(C)(O)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol?
The InChIKey is SUFJFXSLEKZCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4O/c1-5-14-9-12(2,18)11-10(13)8-15-17(11)7-6-16(3)4/h8,14,18H,5-7,9H2,1-4H3.
What are the key properties of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol?
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol has a molecular weight of 274.80 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol is sourced from PubChem (CID 114666035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).