4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde

C10H7ClN2O2 — CID 84687952

IUPAC4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-8(5-14)12-13-10(9)6-2-1-3-7(15)4-6/h1-5,15H,(H,12,13)
InChIKeyMZYMUULVTHGBPV-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.25
Rot. Bonds2

About 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde

4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 84687952) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID84687952
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1[nH]nc(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-8(5-14)12-13-10(9)6-2-1-3-7(15)4-6/h1-5,15H,(H,12,13)
InChIKeyMZYMUULVTHGBPV-UHFFFAOYSA-N
XLogP2.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
CID 83912637
3-(5-chloro-1H-1,2,4-triazol-3-yl)phenol
CID 84666531
2-chloro-5-(3-hydroxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 84688770
4-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbaldehyde
CID 83911949
4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde
CID 84711961
3-(5-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenol
CID 22953773
3-[5-(hydroxymethyl)-2H-triazol-4-yl]phenol
CID 117167824
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
3-[3-(3-hydroxyphenyl)-4-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 70196359
1-(3-hydroxyphenyl)isoquinoline-7-carbaldehyde
CID 169292309
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde (CID 84687952) is 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde is O=Cc1[nH]nc(-c2cccc(O)c2)c1Cl.
What is the InChIKey of 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is MZYMUULVTHGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-8(5-14)12-13-10(9)6-2-1-3-7(15)4-6/h1-5,15H,(H,12,13).
What are the key properties of 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde?
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 222.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 84687952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).