ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate

C20H25N3O4 — CID 118736176

IUPACethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(C)n1
InChIInChI=1S/C20H25N3O4/c1-3-26-19(24)17-13-18(23(2)22-17)14-9-11-16(12-10-14)27-20(25)21-15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,21,25)
InChIKeyHXKMPMGDDRQWJU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.68
Rot. Bonds5

About ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate

ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate (PubChem CID 118736176) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
PubChem CID118736176
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(C)n1
InChIInChI=1S/C20H25N3O4/c1-3-26-19(24)17-13-18(23(2)22-17)14-9-11-16(12-10-14)27-20(25)21-15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,21,25)
InChIKeyHXKMPMGDDRQWJU-UHFFFAOYSA-N
XLogP3.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62269593
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
ethyl 5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-methylpyrazole-3-carboxylate
CID 118617465
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
ethyl 3-[3-(cyclohexylcarbamoyloxy)phenyl]-1-(4-methoxyphenyl)pyrazole-5-carboxylate
CID 118736193
ethyl 3-[3-(cyclohexylcarbamoyloxy)phenyl]-1-phenylpyrazole-5-carboxylate
CID 118736191
ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 75176283
ethyl 4-[[1-methyl-5-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
CID 110336491
ethyl (6R)-6-(cyclohexylcarbamoyl)-5-(4-ethoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744952
ethyl 5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118148827

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate (CID 118736176) is ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(C)n1.
What is the InChIKey of ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate?
The InChIKey is HXKMPMGDDRQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-26-19(24)17-13-18(23(2)22-17)14-9-11-16(12-10-14)27-20(25)21-15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,21,25).
What are the key properties of ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate?
ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(cyclohexylcarbamoyloxy)phenyl]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 118736176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).