ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate

C17H21N3O3S — CID 55968963

IUPACethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(-c3cccs3)[nH]n2)CCCCC1
InChIInChI=1S/C17H21N3O3S/c1-2-23-16(22)17(8-4-3-5-9-17)18-15(21)13-11-12(19-20-13)14-7-6-10-24-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyVAYIEAJGOQSPRY-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.13
Rot. Bonds5

About ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate

ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 55968963) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID55968963
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Nameethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2cc(-c3cccs3)[nH]n2)CCCCC1
InChIInChI=1S/C17H21N3O3S/c1-2-23-16(22)17(8-4-3-5-9-17)18-15(21)13-11-12(19-20-13)14-7-6-10-24-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyVAYIEAJGOQSPRY-UHFFFAOYSA-N
XLogP3.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

N-(1-cyanocyclopentyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78900626
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120887840
methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 47355117
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
ethyl 1-phenyl-5-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-4-carboxylate
CID 19509067
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
ethyl 1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 51117335
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510
2-O-ethyl 4-O-propan-2-yl 3-methyl-5-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 19509051
N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119474401

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 55968963) is ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)c2cc(-c3cccs3)[nH]n2)CCCCC1.
What is the InChIKey of ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is VAYIEAJGOQSPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-23-16(22)17(8-4-3-5-9-17)18-15(21)13-11-12(19-20-13)14-7-6-10-24-14/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate?
ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55968963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).