ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

C17H22N4O3 — CID 108746081

IUPACethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-4-20(5-2)16(22)14-12-18-21(13-10-8-7-9-11-13)15(14)19-17(23)24-6-3/h7-12H,4-6H2,1-3H3,(H,19,23)
InChIKeyFCEPVSYAEJGDPQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.92
Rot. Bonds6

About ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate

ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (PubChem CID 108746081) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
PubChem CID108746081
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1
InChIInChI=1S/C17H22N4O3/c1-4-20(5-2)16(22)14-12-18-21(13-10-8-7-9-11-13)15(14)19-17(23)24-6-3/h7-12H,4-6H2,1-3H3,(H,19,23)
InChIKeyFCEPVSYAEJGDPQ-UHFFFAOYSA-N
XLogP2.92
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
2-ethylhexyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746086
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate (CID 108746081) is ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is CCOC(=O)Nc1c(C(=O)N(CC)CC)cnn1-c1ccccc1.
What is the InChIKey of ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is FCEPVSYAEJGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-20(5-2)16(22)14-12-18-21(13-10-8-7-9-11-13)15(14)19-17(23)24-6-3/h7-12H,4-6H2,1-3H3,(H,19,23).
What are the key properties of ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate?
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 330.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 108746081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).