2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal

C10H16ClN3O2 — CID 114636632

IUPAC2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
SMILESCN(C)CCn1ncc(Cl)c1C(C)(O)C=O
InChIInChI=1S/C10H16ClN3O2/c1-10(16,7-15)9-8(11)6-12-14(9)5-4-13(2)3/h6-7,16H,4-5H2,1-3H3
InChIKeyJIAKLCHNJUHGQI-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.50
Rot. Bonds5

About 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal (PubChem CID 114636632) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal.

Molecular Properties

Compound Name2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
PubChem CID114636632
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
SMILESCN(C)CCn1ncc(Cl)c1C(C)(O)C=O
InChIInChI=1S/C10H16ClN3O2/c1-10(16,7-15)9-8(11)6-12-14(9)5-4-13(2)3/h6-7,16H,4-5H2,1-3H3
InChIKeyJIAKLCHNJUHGQI-UHFFFAOYSA-N
XLogP0.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(ethylamino)propan-2-ol
CID 114666035
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,6-dimethylheptan-4-ol
CID 114865114
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]acetaldehyde
CID 114662453
4-chloro-1-[2-(dimethylamino)ethyl]pyrazole-5-carbaldehyde
CID 114640197
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
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylpropanal
CID 114663637
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethylpropan-1-ol
CID 114635694
2-[5-(aminomethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114652025
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-2-one
CID 114663500
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal?
The IUPAC name of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal (CID 114636632) is 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal.
What is the SMILES notation for 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal?
The canonical SMILES for 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal is CN(C)CCn1ncc(Cl)c1C(C)(O)C=O.
What is the InChIKey of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal?
The InChIKey is JIAKLCHNJUHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-10(16,7-15)9-8(11)6-12-14(9)5-4-13(2)3/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal?
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal has a molecular weight of 245.71 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 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]-2-hydroxypropanal is sourced from PubChem (CID 114636632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).