propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate

C10H16N2O2 — CID 176935397

IUPACpropan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h6-7H,5H2,1-4H3
InChIKeyIAAKSQYNPCDTNE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds3

About propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate

propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate (PubChem CID 176935397) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
PubChem CID176935397
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namepropan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)nn1C
InChIInChI=1S/C10H16N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h6-7H,5H2,1-4H3
InChIKeyIAAKSQYNPCDTNE-UHFFFAOYSA-N
XLogP1.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate 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 propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate?
The IUPAC name of propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate (CID 176935397) is propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate is CCc1cc(C(=O)OC(C)C)nn1C.
What is the InChIKey of propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate?
The InChIKey is IAAKSQYNPCDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-8-6-9(11-12(8)4)10(13)14-7(2)3/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate?
propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 176935397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).