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

C8H9ClN2O — CID 83482968

IUPAC3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(Cl)c(C=O)c1C1CC1
InChIInChI=1S/C8H9ClN2O/c1-11-7(5-2-3-5)6(4-12)8(9)10-11/h4-5H,2-3H2,1H3
InChIKeyZIFAXBRFMPMJCK-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.76
Rot. Bonds2

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

3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde (PubChem CID 83482968) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
PubChem CID83482968
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde
SMILESCn1nc(Cl)c(C=O)c1C1CC1
InChIInChI=1S/C8H9ClN2O/c1-11-7(5-2-3-5)6(4-12)8(9)10-11/h4-5H,2-3H2,1H3
InChIKeyZIFAXBRFMPMJCK-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.76
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-chloro-5-fluoro-1-methylpyrazole-4-carbaldehyde
CID 130286691
5-chloro-3-cyclopropyl-1-ethylpyrazole-4-carbaldehyde
CID 63354116
4-chloro-5-cyclopropyl-3-isocyanato-1-methylpyrazole
CID 83915920
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
3-cyclopropyl-5-(2,4-dichloro-5-hydroxyphenoxy)-1-methylpyrazole-4-carbaldehyde
CID 87545488
5-cyclobutyl-1,4-dimethylpyrazol-3-amine
CID 83845846
5-[cyclopropyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 43265102
5-chloro-3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
CID 63353977
5-cyclopropyl-4-ethyl-1-methylpyrazol-3-amine
CID 105432808
5-chloro-3-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrazole-4-carbaldehyde
CID 63353537
4-chloro-6-[(1-methylpiperidin-4-yl)amino]pyrimidine-5-carbaldehyde
CID 66367770
5-chloro-1-cycloheptyl-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 62320846

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde (CID 83482968) is 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde is Cn1nc(Cl)c(C=O)c1C1CC1.
What is the InChIKey of 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde?
The InChIKey is ZIFAXBRFMPMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11-7(5-2-3-5)6(4-12)8(9)10-11/h4-5H,2-3H2,1H3.
What are the key properties of 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde?
3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde has a molecular weight of 184.63 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 83482968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).