ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate

C17H22N4O3S — CID 167897068

IUPACethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)CC1
InChIInChI=1S/C17H22N4O3S/c1-3-24-17(23)21-8-6-12(7-9-21)18-16(22)14-10-13(19-20-14)15-5-4-11(2)25-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyBQUVEOHFDIKJCQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.80
Rot. Bonds4

About ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 167897068) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID167897068
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Nameethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)CC1
InChIInChI=1S/C17H22N4O3S/c1-3-24-17(23)21-8-6-12(7-9-21)18-16(22)14-10-13(19-20-14)15-5-4-11(2)25-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyBQUVEOHFDIKJCQ-UHFFFAOYSA-N
XLogP2.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate 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

ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 136832042
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 95719498
ethyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]piperidine-1-carboxylate
CID 110698266
5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96572585
ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
CID 110853943
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[6-(propylcarbamoyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109093479

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate (CID 167897068) is ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)[nH]n2)CC1.
What is the InChIKey of ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is BQUVEOHFDIKJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-3-24-17(23)21-8-6-12(7-9-21)18-16(22)14-10-13(19-20-14)15-5-4-11(2)25-15/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 362.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 167897068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).