3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde

C7H7ClN2O — CID 82412226

IUPAC3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)n[nH]c1C1CC1
InChIInChI=1S/C7H7ClN2O/c8-7-5(3-11)6(9-10-7)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKeyOMZPJBMWBGIUOP-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.75
Rot. Bonds2

About 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde

3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde (PubChem CID 82412226) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde
PubChem CID82412226
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(Cl)n[nH]c1C1CC1
InChIInChI=1S/C7H7ClN2O/c8-7-5(3-11)6(9-10-7)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKeyOMZPJBMWBGIUOP-UHFFFAOYSA-N
XLogP1.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde (CID 82412226) is 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde is O=Cc1c(Cl)n[nH]c1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is OMZPJBMWBGIUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-7-5(3-11)6(9-10-7)4-1-2-4/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde?
3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 170.60 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 82412226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).