4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde

C20H24N4O2 — CID 110336572

IUPAC4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
SMILESCn1nc(C(=O)N2CCN(C=O)CC2)cc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24N4O2/c1-22-19(17-7-6-15-4-2-3-5-16(15)12-17)13-18(21-22)20(26)24-10-8-23(14-25)9-11-24/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyPDUWEUWSDGUPEI-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.88
Rot. Bonds3

About 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde

4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 110336572) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID110336572
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde
SMILESCn1nc(C(=O)N2CCN(C=O)CC2)cc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H24N4O2/c1-22-19(17-7-6-15-4-2-3-5-16(15)12-17)13-18(21-22)20(26)24-10-8-23(14-25)9-11-24/h6-7,12-14H,2-5,8-11H2,1H3
InChIKeyPDUWEUWSDGUPEI-UHFFFAOYSA-N
XLogP1.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.88
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

4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
4-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336762
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117399136
ethyl 4-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110299419
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488
1-methyl-5-(1-methyl-2,3-dihydroindol-5-yl)pyrazole-3-carboxylic acid
CID 117396362
[1-methyl-5-(4-methylphenyl)pyrazol-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110299420

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde (CID 110336572) is 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde is Cn1nc(C(=O)N2CCN(C=O)CC2)cc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is PDUWEUWSDGUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-19(17-7-6-15-4-2-3-5-16(15)12-17)13-18(21-22)20(26)24-10-8-23(14-25)9-11-24/h6-7,12-14H,2-5,8-11H2,1H3.
What are the key properties of 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde?
4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110336572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).