ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate

C19H26N4O4 — CID 118048147

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccc2C)nn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N4O4/c1-6-26-17(24)15-12-14(16-13(2)8-7-9-20-16)22-23(15)11-10-21-18(25)27-19(3,4)5/h7-9,12H,6,10-11H2,1-5H3,(H,21,25)
InChIKeyOXPWORWCTJFIBK-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.95
Rot. Bonds6

About ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate

ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 118048147) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID118048147
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ncccc2C)nn1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N4O4/c1-6-26-17(24)15-12-14(16-13(2)8-7-9-20-16)22-23(15)11-10-21-18(25)27-19(3,4)5/h7-9,12H,6,10-11H2,1-5H3,(H,21,25)
InChIKeyOXPWORWCTJFIBK-UHFFFAOYSA-N
XLogP2.95
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate (CID 118048147) is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ncccc2C)nn1CCNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is OXPWORWCTJFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-6-26-17(24)15-12-14(16-13(2)8-7-9-20-16)22-23(15)11-10-21-18(25)27-19(3,4)5/h7-9,12H,6,10-11H2,1-5H3,(H,21,25).
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(3-methyl-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 118048147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).