[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate

C10H10N4O3 — CID 175423399

IUPAC[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate
SMILESCc1cccc(-n2[nH]c(OC(N)=O)cc2=O)n1
InChIInChI=1S/C10H10N4O3/c1-6-3-2-4-7(12-6)14-9(15)5-8(13-14)17-10(11)16/h2-5,13H,1H3,(H2,11,16)
InChIKeyRLZNYJSLEHMJLL-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.33
Rot. Bonds2

About [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate

[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate (PubChem CID 175423399) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate
PubChem CID175423399
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate
SMILESCc1cccc(-n2[nH]c(OC(N)=O)cc2=O)n1
InChIInChI=1S/C10H10N4O3/c1-6-3-2-4-7(12-6)14-9(15)5-8(13-14)17-10(11)16/h2-5,13H,1H3,(H2,11,16)
InChIKeyRLZNYJSLEHMJLL-UHFFFAOYSA-N
XLogP0.33
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate?
The IUPAC name of [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate (CID 175423399) is [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate.
What is the SMILES notation for [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate?
The canonical SMILES for [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate is Cc1cccc(-n2[nH]c(OC(N)=O)cc2=O)n1.
What is the InChIKey of [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate?
The InChIKey is RLZNYJSLEHMJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-3-2-4-7(12-6)14-9(15)5-8(13-14)17-10(11)16/h2-5,13H,1H3,(H2,11,16).
What are the key properties of [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate?
[2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate has a molecular weight of 234.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-2-pyridinyl)-3-oxo-1H-pyrazol-5-yl] carbamate is sourced from PubChem (CID 175423399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).