ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate

C20H20N4O3 — CID 43070258

IUPACethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ncccc3C)cc2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-22-24(14(17)3)16-9-7-15(8-10-16)19(25)23-18-13(2)6-5-11-21-18/h5-12H,4H2,1-3H3,(H,21,23,25)
InChIKeyBWTIXUBUAHBWEX-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate

ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate (PubChem CID 43070258) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate
PubChem CID43070258
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ncccc3C)cc2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-22-24(14(17)3)16-9-7-15(8-10-16)19(25)23-18-13(2)6-5-11-21-18/h5-12H,4H2,1-3H3,(H,21,23,25)
InChIKeyBWTIXUBUAHBWEX-UHFFFAOYSA-N
XLogP3.31
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate (CID 43070258) is ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3ncccc3C)cc2)c1C.
What is the InChIKey of ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
The InChIKey is BWTIXUBUAHBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-22-24(14(17)3)16-9-7-15(8-10-16)19(25)23-18-13(2)6-5-11-21-18/h5-12H,4H2,1-3H3,(H,21,23,25).
What are the key properties of ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate?
ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 43070258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).