3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

C14H15ClN2O — CID 43328609

IUPAC3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-10(2)7-17-8-12(9-18)14(16-17)11-3-5-13(15)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyBPIMRPHJOLRRFK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.67
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde (PubChem CID 43328609) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
PubChem CID43328609
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN2O/c1-10(2)7-17-8-12(9-18)14(16-17)11-3-5-13(15)6-4-11/h3-6,8-10H,7H2,1-2H3
InChIKeyBPIMRPHJOLRRFK-UHFFFAOYSA-N
XLogP3.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145832
3-(4-fluoro-3-methoxyphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82880118
1-butyl-3-(4-chlorophenyl)pyrazole-4-carbaldehyde
CID 61271462
1-(4-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 91871478
1-[(4-chlorophenyl)methyl]-3-pyridin-4-ylpyrazole-4-carbaldehyde
CID 63278646
3-(4-propan-2-ylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266287
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43328598
3-(2-chloro-4-methylsulfanylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82878478
3-(5-bromo-2-pyridinyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 114059311
3-[4-(2-methylpropyl)phenyl]-1-propylpyrazole-4-carbaldehyde
CID 63566440
3-(4-methoxyphenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414817

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde (CID 43328609) is 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde is CC(C)Cn1cc(C=O)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The InChIKey is BPIMRPHJOLRRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(2)7-17-8-12(9-18)14(16-17)11-3-5-13(15)6-4-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde has a molecular weight of 262.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).