ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate

C15H17N3O3 — CID 843036

IUPACethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)nn1C
InChIInChI=1S/C15H17N3O3/c1-4-21-15(20)13-9-12(17-18(13)3)14(19)16-11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyAOTZXGHZCOLKON-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.16
Rot. Bonds4

About ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate

ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate (PubChem CID 843036) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate
PubChem CID843036
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)nn1C
InChIInChI=1S/C15H17N3O3/c1-4-21-15(20)13-9-12(17-18(13)3)14(19)16-11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyAOTZXGHZCOLKON-UHFFFAOYSA-N
XLogP2.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
Ethyl 3-(3-methyl-1-phenyl-1H-pyrazole-5-amido)benzoate
CID 20861278
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
ethyl 3-[(2-fluoroanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
CID 843033
ethyl 3-{[(2,4-dichlorobenzyl)amino]carbonyl}-1-methyl-1H-pyrazole-5-carboxylate
CID 998875
Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 4166529
ethyl 4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 703694
Methyl 4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)benzoate
CID 856356
ethyl 3-[(3-fluoro-4-methylanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylate
CID 843011
Ethyl 4-[3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamido]benzoate
CID 16026601
2-Methyl-2H-pyrazole-3-carboxylic acid p-tolylcarbamoyl-methyl ester
CID 646602
1-Methyl-1H-pyrazole-3-carboxylic acid p-tolylcarbamoyl-methyl ester
CID 653594

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate (CID 843036) is ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2)nn1C.
What is the InChIKey of ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate?
The InChIKey is AOTZXGHZCOLKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-21-15(20)13-9-12(17-18(13)3)14(19)16-11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3,(H,16,19).
What are the key properties of ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate?
ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-[(3-methylphenyl)carbamoyl]pyrazole-5-carboxylate is sourced from PubChem (CID 843036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).