5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde

C13H14N2O — CID 28948694

IUPAC5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
SMILESCCCc1ccc(-c2[nH]ncc2C=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)13-12(9-16)8-14-15-13/h4-9H,2-3H2,1H3,(H,14,15)
InChIKeyUHAWADDDYZSDFR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.84
Rot. Bonds4

About 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde

5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 28948694) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
PubChem CID28948694
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde
SMILESCCCc1ccc(-c2[nH]ncc2C=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)13-12(9-16)8-14-15-13/h4-9H,2-3H2,1H3,(H,14,15)
InChIKeyUHAWADDDYZSDFR-UHFFFAOYSA-N
XLogP2.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
CID 2781846
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021
4-(4-propylphenyl)-1H-pyridazin-6-one
CID 106517178
5-(3,4-difluorophenyl)-1H-pyrazole-4-carbaldehyde
CID 43121466
5-(4-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 61395345
5-(3-butan-2-yl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565087
1-tert-butyl-3-(4-propylphenyl)pyrazole-4-carbaldehyde
CID 43324205
4-bromo-5-(4-propylphenyl)-1,3-thiazole-2-carbaldehyde
CID 86614797
2-[5-(4-heptylphenyl)-1H-pyrazol-4-yl]propanoic acid
CID 19881316
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
5-(2-methylpyrazol-3-yl)-1H-pyrazole-4-carbaldehyde
CID 106758341

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde (CID 28948694) is 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde is CCCc1ccc(-c2[nH]ncc2C=O)cc1.
What is the InChIKey of 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is UHAWADDDYZSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-3-10-4-6-11(7-5-10)13-12(9-16)8-14-15-13/h4-9H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde?
5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 28948694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).