methyl N-(1-methylpyrazol-3-yl)carbamate

C6H9N3O2 — CID 12774707

IUPACmethyl N-(1-methylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C6H9N3O2/c1-9-4-3-5(8-9)7-6(10)11-2/h3-4H,1-2H3,(H,7,8,10)
InChIKeyXJZWBMKRECNLJU-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.60
Rot. Bonds1

About methyl N-(1-methylpyrazol-3-yl)carbamate

methyl N-(1-methylpyrazol-3-yl)carbamate (PubChem CID 12774707) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl N-(1-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methylpyrazol-3-yl)carbamate
PubChem CID12774707
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl N-(1-methylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C6H9N3O2/c1-9-4-3-5(8-9)7-6(10)11-2/h3-4H,1-2H3,(H,7,8,10)
InChIKeyXJZWBMKRECNLJU-UHFFFAOYSA-N
XLogP0.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
CID 155208509
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methylpyrazol-3-yl)carbamate?
The IUPAC name of methyl N-(1-methylpyrazol-3-yl)carbamate (CID 12774707) is methyl N-(1-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-methylpyrazol-3-yl)carbamate?
The canonical SMILES for methyl N-(1-methylpyrazol-3-yl)carbamate is COC(=O)Nc1ccn(C)n1.
What is the InChIKey of methyl N-(1-methylpyrazol-3-yl)carbamate?
The InChIKey is XJZWBMKRECNLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4-3-5(8-9)7-6(10)11-2/h3-4H,1-2H3,(H,7,8,10).
What are the key properties of methyl N-(1-methylpyrazol-3-yl)carbamate?
methyl N-(1-methylpyrazol-3-yl)carbamate has a molecular weight of 155.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 12774707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).