4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde

C12H18N4O2 — CID 110850148

IUPAC4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESCc1cc(CC(=O)N2CCN(C=O)CC2)n(C)n1
InChIInChI=1S/C12H18N4O2/c1-10-7-11(14(2)13-10)8-12(18)16-5-3-15(9-17)4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyDLAGUJVVQMRIHC-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.43
Rot. Bonds3

About 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde

4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 110850148) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID110850148
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESCc1cc(CC(=O)N2CCN(C=O)CC2)n(C)n1
InChIInChI=1S/C12H18N4O2/c1-10-7-11(14(2)13-10)8-12(18)16-5-3-15(9-17)4-6-16/h7,9H,3-6,8H2,1-2H3
InChIKeyDLAGUJVVQMRIHC-UHFFFAOYSA-N
XLogP-0.43
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 146134124
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
4-[2-(5-tert-butyl-2-methylphenyl)acetyl]piperazine-1-carbaldehyde
CID 110767542
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105108355
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116592412
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde (CID 110850148) is 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde is Cc1cc(CC(=O)N2CCN(C=O)CC2)n(C)n1.
What is the InChIKey of 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is DLAGUJVVQMRIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10-7-11(14(2)13-10)8-12(18)16-5-3-15(9-17)4-6-16/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylpyrazol-3-yl)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110850148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).