ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate

C16H13N5O2 — CID 108747257

IUPACethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H13N5O2/c1-2-23-16(22)20-15-12(9-17)10-18-21(15)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2H2,1H3,(H,20,22)
InChIKeyIJLTZIPQRXSUML-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.86
Rot. Bonds3

About ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate

ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate (PubChem CID 108747257) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
PubChem CID108747257
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Nameethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H13N5O2/c1-2-23-16(22)20-15-12(9-17)10-18-21(15)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2H2,1H3,(H,20,22)
InChIKeyIJLTZIPQRXSUML-UHFFFAOYSA-N
XLogP2.86
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
CID 108747297
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779168
5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108769371
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
CID 108747313
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801132
5-[(3-chloroquinoxalin-2-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779190
ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746971
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
ethyl 5-[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769131
(Z)-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108769375

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate (CID 108747257) is ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate is CCOC(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate?
The InChIKey is IJLTZIPQRXSUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-2-23-16(22)20-15-12(9-17)10-18-21(15)14-8-7-11-5-3-4-6-13(11)19-14/h3-8,10H,2H2,1H3,(H,20,22).
What are the key properties of ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate?
ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate has a molecular weight of 307.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate is sourced from PubChem (CID 108747257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).