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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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).