ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate

C15H12N4O3S — CID 135077282

IUPACethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-n2cccn2)ncc1C(=O)c1cccs1
InChIInChI=1S/C15H12N4O3S/c1-2-22-14(21)12-10(13(20)11-5-3-8-23-11)9-16-15(18-12)19-7-4-6-17-19/h3-9H,2H2,1H3
InChIKeyUYODYCILOZTHHT-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate

ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate (PubChem CID 135077282) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate
PubChem CID135077282
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Nameethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(-n2cccn2)ncc1C(=O)c1cccs1
InChIInChI=1S/C15H12N4O3S/c1-2-22-14(21)12-10(13(20)11-5-3-8-23-11)9-16-15(18-12)19-7-4-6-17-19/h3-9H,2H2,1H3
InChIKeyUYODYCILOZTHHT-UHFFFAOYSA-N
XLogP2.13
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-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 ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate (CID 135077282) is ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate is CCOC(=O)c1nc(-n2cccn2)ncc1C(=O)c1cccs1.
What is the InChIKey of ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate?
The InChIKey is UYODYCILOZTHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-2-22-14(21)12-10(13(20)11-5-3-8-23-11)9-16-15(18-12)19-7-4-6-17-19/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate?
ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrazol-1-yl-5-(thiophene-2-carbonyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 135077282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).