methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate

C15H15N5O3 — CID 46988081

IUPACmethyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(CC(=O)Nc2nn(C)c3ccccc23)n1
InChIInChI=1S/C15H15N5O3/c1-19-12-6-4-3-5-10(12)14(18-19)16-13(21)9-20-8-7-11(17-20)15(22)23-2/h3-8H,9H2,1-2H3,(H,16,18,21)
InChIKeyPPUWGINVJIHJJP-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.20
Rot. Bonds4

About methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate

methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate (PubChem CID 46988081) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
PubChem CID46988081
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Namemethyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(CC(=O)Nc2nn(C)c3ccccc23)n1
InChIInChI=1S/C15H15N5O3/c1-19-12-6-4-3-5-10(12)14(18-19)16-13(21)9-20-8-7-11(17-20)15(22)23-2/h3-8H,9H2,1-2H3,(H,16,18,21)
InChIKeyPPUWGINVJIHJJP-UHFFFAOYSA-N
XLogP1.20
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate (CID 46988081) is methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate is COC(=O)c1ccn(CC(=O)Nc2nn(C)c3ccccc23)n1.
What is the InChIKey of methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
The InChIKey is PPUWGINVJIHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-19-12-6-4-3-5-10(12)14(18-19)16-13(21)9-20-8-7-11(17-20)15(22)23-2/h3-8H,9H2,1-2H3,(H,16,18,21).
What are the key properties of methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate?
methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1-methylindazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylate is sourced from PubChem (CID 46988081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).