ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate

C22H23N3O3 — CID 31972366

IUPACethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1C
InChIInChI=1S/C22H23N3O3/c1-4-28-22(27)20-14-23-25(16(20)2)19-12-10-18(11-13-19)21(26)24(3)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3
InChIKeyULPRKYVWKHVPGF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.63
Rot. Bonds6

About ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate

ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate (PubChem CID 31972366) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
PubChem CID31972366
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1C
InChIInChI=1S/C22H23N3O3/c1-4-28-22(27)20-14-23-25(16(20)2)19-12-10-18(11-13-19)21(26)24(3)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3
InChIKeyULPRKYVWKHVPGF-UHFFFAOYSA-N
XLogP3.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38032998
ethyl 5-methyl-1-[4-[methyl-[(4-methylquinazolin-2-yl)methyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 51133376
ethyl 1-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31975222
ethyl 1-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55650195
ethyl 1-[4-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38045600
ethyl 1-[4-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 97029295
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-[4-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070287
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363324
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate (CID 31972366) is ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)c1C.
What is the InChIKey of ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
The InChIKey is ULPRKYVWKHVPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-28-22(27)20-14-23-25(16(20)2)19-12-10-18(11-13-19)21(26)24(3)15-17-8-6-5-7-9-17/h5-14H,4,15H2,1-3H3.
What are the key properties of ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate?
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 31972366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).