4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide

C12H18ClN3O2 — CID 4771015

IUPAC4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h7-8,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyCOBOXKSVPLYLGH-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.85
Rot. Bonds4

About 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 4771015) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID4771015
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC(C)C2CCCO2)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h7-8,10H,3-6H2,1-2H3,(H,14,17)
InChIKeyCOBOXKSVPLYLGH-UHFFFAOYSA-N
XLogP1.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide 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 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide (CID 4771015) is 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NC(C)C2CCCO2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is COBOXKSVPLYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-16-7-9(13)11(15-16)12(17)14-8(2)10-5-4-6-18-10/h7-8,10H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4771015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).