5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde

C10H15ClN2O — CID 61267063

IUPAC5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1nc(C(C)C)c(C=O)c1Cl
InChIInChI=1S/C10H15ClN2O/c1-4-5-13-10(11)8(6-14)9(12-13)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyAHVBVCSBLKGYMT-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde

5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde (PubChem CID 61267063) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
PubChem CID61267063
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
SMILESCCCn1nc(C(C)C)c(C=O)c1Cl
InChIInChI=1S/C10H15ClN2O/c1-4-5-13-10(11)8(6-14)9(12-13)7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyAHVBVCSBLKGYMT-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde (CID 61267063) is 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde is CCCn1nc(C(C)C)c(C=O)c1Cl.
What is the InChIKey of 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
The InChIKey is AHVBVCSBLKGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-4-5-13-10(11)8(6-14)9(12-13)7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde?
5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde has a molecular weight of 214.70 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61267063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).