5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

C11H19N3O2 — CID 61425045

IUPAC5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCCN(CCO)c1c(C=O)c(C)nn1C
InChIInChI=1S/C11H19N3O2/c1-4-5-14(6-7-15)11-10(8-16)9(2)12-13(11)3/h8,15H,4-7H2,1-3H3
InChIKeyOVNQSCSSOGOFCF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.75
Rot. Bonds6

About 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 61425045) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID61425045
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCCCN(CCO)c1c(C=O)c(C)nn1C
InChIInChI=1S/C11H19N3O2/c1-4-5-14(6-7-15)11-10(8-16)9(2)12-13(11)3/h8,15H,4-7H2,1-3H3
InChIKeyOVNQSCSSOGOFCF-UHFFFAOYSA-N
XLogP0.75
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.75
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

1,3-Dimethyl-5-(morpholin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 2776494
5-Amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 223698
3-(Difluoromethyl)-5-(dimethylamino)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 58764261
2,4,5-tris(fluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 175994229
5-(dimethylamino)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 11412595
5-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 43122025
5-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55010235
1,3-Dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 55010238
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55010765
1,3-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 55010867
1,3-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 60890811
1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazole-4-carbaldehyde
CID 62969113

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (CID 61425045) is 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is CCCN(CCO)c1c(C=O)c(C)nn1C.
What is the InChIKey of 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is OVNQSCSSOGOFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-5-14(6-7-15)11-10(8-16)9(2)12-13(11)3/h8,15H,4-7H2,1-3H3.
What are the key properties of 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(propyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).