ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate

C19H29N3O4 — CID 58924568

IUPACethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-3-26-19(24)16-12-20-21-17(16)22(15-8-10-25-11-9-15)18(23)14-6-4-13(2)5-7-14/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyKPHRTFWLIYNMMS-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.92
Rot. Bonds5

About ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 58924568) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate
PubChem CID58924568
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nameethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCOCC1
InChIInChI=1S/C19H29N3O4/c1-3-26-19(24)16-12-20-21-17(16)22(15-8-10-25-11-9-15)18(23)14-6-4-13(2)5-7-14/h12-15H,3-11H2,1-2H3,(H,20,21)
InChIKeyKPHRTFWLIYNMMS-UHFFFAOYSA-N
XLogP2.92
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-[cyclohexanecarbonyl-(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazole-4-carboxylate
CID 71181519
ethyl 3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-[4-(3-methyl-1H-indol-2-yl)phenyl]pyrazole-4-carboxylate
CID 69397449
4-[4-ethoxycarbonyl-5-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]furan-2-yl]benzoic acid
CID 71154193
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
ethyl 1-[3-chloro-4-(furan-2-yl)phenyl]-3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]pyrazole-4-carboxylate
CID 69420993
ethyl 3-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)pyrazole-4-carboxylate
CID 69399686
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009
ethyl 1-benzyl-3-[cyclopentyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylate
CID 71198459
ethyl 5-(cyclopropylmethoxy)-1H-pyrazole-4-carboxylate
CID 165436337
ethyl 5-[cyclohexyl(methyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 51330478
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate
CID 143623847

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate (CID 58924568) is ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1N(C(=O)C1CCC(C)CC1)C1CCOCC1.
What is the InChIKey of ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is KPHRTFWLIYNMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-3-26-19(24)16-12-20-21-17(16)22(15-8-10-25-11-9-15)18(23)14-6-4-13(2)5-7-14/h12-15H,3-11H2,1-2H3,(H,20,21).
What are the key properties of ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylcyclohexanecarbonyl)-(oxan-4-yl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 58924568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).