5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

C15H15ClN2O — CID 63353977

IUPAC5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2nc(C3CC3)c(C=O)c2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)8-18-15(16)13(9-19)14(17-18)12-6-7-12/h2-5,9,12H,6-8H2,1H3
InChIKeyDXSRLMJPAQRLIC-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.58
Rot. Bonds4

About 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde

5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (PubChem CID 63353977) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
PubChem CID63353977
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
SMILESCc1ccc(Cn2nc(C3CC3)c(C=O)c2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)8-18-15(16)13(9-19)14(17-18)12-6-7-12/h2-5,9,12H,6-8H2,1H3
InChIKeyDXSRLMJPAQRLIC-UHFFFAOYSA-N
XLogP3.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde (CID 63353977) is 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is Cc1ccc(Cn2nc(C3CC3)c(C=O)c2Cl)cc1.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
The InChIKey is DXSRLMJPAQRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-2-4-11(5-3-10)8-18-15(16)13(9-19)14(17-18)12-6-7-12/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde?
5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde has a molecular weight of 274.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 63353977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).