2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde

C8H12N2O — CID 174523717

IUPAC2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde
SMILESCC1C(C=O)=CNN1C1CC1
InChIInChI=1S/C8H12N2O/c1-6-7(5-11)4-9-10(6)8-2-3-8/h4-6,8-9H,2-3H2,1H3
InChIKeyRQVHMUSHPRQKNF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.44
Rot. Bonds2

About 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde

2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde (PubChem CID 174523717) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde
PubChem CID174523717
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde
SMILESCC1C(C=O)=CNN1C1CC1
InChIInChI=1S/C8H12N2O/c1-6-7(5-11)4-9-10(6)8-2-3-8/h4-6,8-9H,2-3H2,1H3
InChIKeyRQVHMUSHPRQKNF-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde?
The IUPAC name of 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde (CID 174523717) is 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde is CC1C(C=O)=CNN1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde?
The InChIKey is RQVHMUSHPRQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-7(5-11)4-9-10(6)8-2-3-8/h4-6,8-9H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde?
2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methyl-1,3-dihydropyrazole-4-carbaldehyde is sourced from PubChem (CID 174523717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).