4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C11H16ClN3O2 — CID 4771479

IUPAC4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C11H16ClN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyTYLDSABAFCFGSP-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.47
Rot. Bonds4

About 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 4771479) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID4771479
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C11H16ClN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyTYLDSABAFCFGSP-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)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

Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-chloro-2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 6464856
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 6468313
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide
CID 1224835
(R)-1-Methyl-N-((tetrahydrofuran-2-yl)methyl)-1H-pyrazole-3-carboxamide
CID 1224834
1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 4770715
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350
4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19263455
4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19263505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 4771479) is 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is TYLDSABAFCFGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-17-8/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.47, 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-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4771479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).