5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

C13H20N4O — CID 61441855

IUPAC5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCN(C3CC3)CC2)c1C=O
InChIInChI=1S/C13H20N4O/c1-10-12(9-18)13(15(2)14-10)17-7-5-16(6-8-17)11-3-4-11/h9,11H,3-8H2,1-2H3
InChIKeyUTYPQMCQRBGQIL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds3

About 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde

5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 61441855) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID61441855
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N2CCN(C3CC3)CC2)c1C=O
InChIInChI=1S/C13H20N4O/c1-10-12(9-18)13(15(2)14-10)17-7-5-16(6-8-17)11-3-4-11/h9,11H,3-8H2,1-2H3
InChIKeyUTYPQMCQRBGQIL-UHFFFAOYSA-N
XLogP0.83
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
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
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
1,3-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazole-4-carbaldehyde
CID 65536284

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde (CID 61441855) is 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N2CCN(C3CC3)CC2)c1C=O.
What is the InChIKey of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is UTYPQMCQRBGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-12(9-18)13(15(2)14-10)17-7-5-16(6-8-17)11-3-4-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde?
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 248.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61441855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).