ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate

C16H19N3O4 — CID 78867948

IUPACethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NCCO)cc2)c1C
InChIInChI=1S/C16H19N3O4/c1-3-23-16(22)14-10-18-19(11(14)2)13-6-4-12(5-7-13)15(21)17-8-9-20/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,21)
InChIKeyXTVVQPRQDNISEX-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds6

About ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 78867948) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID78867948
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)NCCO)cc2)c1C
InChIInChI=1S/C16H19N3O4/c1-3-23-16(22)14-10-18-19(11(14)2)13-6-4-12(5-7-13)15(21)17-8-9-20/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,21)
InChIKeyXTVVQPRQDNISEX-UHFFFAOYSA-N
XLogP1.08
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46429346
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CID 56536653
ethyl 1-[4-[(2-hydroxy-4-methylpentyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 71849193
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 1-[4-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070287
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46403241
ethyl 5-methyl-1-[4-[4-(4-phenylpiperazin-1-yl)butylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 55860992
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 5-methyl-1-[4-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55833238
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
ethyl 1-[4-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 52636921
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate (CID 78867948) is ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)NCCO)cc2)c1C.
What is the InChIKey of ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is XTVVQPRQDNISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-23-16(22)14-10-18-19(11(14)2)13-6-4-12(5-7-13)15(21)17-8-9-20/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,21).
What are the key properties of ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 78867948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).