ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate

C15H21N5O3 — CID 19267156

IUPACethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCCCn2nccc2C)nn1C
InChIInChI=1S/C15H21N5O3/c1-4-23-15(22)13-10-12(18-19(13)3)14(21)16-7-5-9-20-11(2)6-8-17-20/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,21)
InChIKeyNPRUOCIXDMJTHI-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.92
Rot. Bonds7

About ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate

ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate (PubChem CID 19267156) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
PubChem CID19267156
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nameethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCCCn2nccc2C)nn1C
InChIInChI=1S/C15H21N5O3/c1-4-23-15(22)13-10-12(18-19(13)3)14(21)16-7-5-9-20-11(2)6-8-17-20/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,21)
InChIKeyNPRUOCIXDMJTHI-UHFFFAOYSA-N
XLogP0.92
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-methyl-3-(octadecylcarbamoyl)pyrazole-5-carboxylate
CID 19266999
ethyl 1-methyl-3-[2-(5-methyl-3-nitropyrazol-1-yl)ethylcarbamoyl]pyrazole-5-carboxylate
CID 4866858
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480219
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
1-[(2,5-dimethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19272925
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
1-[(3-chlorophenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19276597
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011
3-[(4-ethylphenoxy)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327775

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate (CID 19267156) is ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)NCCCn2nccc2C)nn1C.
What is the InChIKey of ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate?
The InChIKey is NPRUOCIXDMJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-23-15(22)13-10-12(18-19(13)3)14(21)16-7-5-9-20-11(2)6-8-17-20/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,21).
What are the key properties of ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate?
ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate is sourced from PubChem (CID 19267156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).