methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate

C10H11N3O2 — CID 4737239

IUPACmethyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/C10H11N3O2/c1-13-5-3-4-9(13)7-6-8(12-11-7)10(14)15-2/h3-6H,1-2H3,(H,11,12)
InChIKeyNBOSDYDTJRQZMC-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.20
Rot. Bonds2

About methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate

methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 4737239) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID4737239
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccn2C)n[nH]1
InChIInChI=1S/C10H11N3O2/c1-13-5-3-4-9(13)7-6-8(12-11-7)10(14)15-2/h3-6H,1-2H3,(H,11,12)
InChIKeyNBOSDYDTJRQZMC-UHFFFAOYSA-N
XLogP1.20
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate (CID 4737239) is methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2cccn2C)n[nH]1.
What is the InChIKey of methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is NBOSDYDTJRQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-5-3-4-9(13)7-6-8(12-11-7)10(14)15-2/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate?
methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 4737239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).