5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde

C9H11ClN2O — CID 63354116

IUPAC5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
SMILESCCn1nc(C2CC2)c(C=O)c1Cl
InChIInChI=1S/C9H11ClN2O/c1-2-12-9(10)7(5-13)8(11-12)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyDPJIJCVEHFGRRV-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.25
Rot. Bonds3

About 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde

5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde (PubChem CID 63354116) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
PubChem CID63354116
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
SMILESCCn1nc(C2CC2)c(C=O)c1Cl
InChIInChI=1S/C9H11ClN2O/c1-2-12-9(10)7(5-13)8(11-12)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyDPJIJCVEHFGRRV-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.25
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

5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63353977
5-chloro-3-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
CID 63353537
3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
CID 83482968
3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
CID 153366257
3-(5-chloro-4-formyl-3-propylpyrazol-1-yl)propanenitrile
CID 43364153
3-cyclopropyl-5-(2,4-dichloro-5-hydroxyphenoxy)-1-methylpyrazole-4-carbaldehyde
CID 87545488
1-butyl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353947
5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride
CID 82918944
5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
CID 103294235
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole
CID 162371639
5-chloro-3-methyl-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61271689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde (CID 63354116) is 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde is CCn1nc(C2CC2)c(C=O)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde?
The InChIKey is DPJIJCVEHFGRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-12-9(10)7(5-13)8(11-12)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde?
5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde has a molecular weight of 198.65 g/mol, XLogP of 2.25, 3 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-ethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 63354116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).