methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate

C8H13N3O2 — CID 115619372

IUPACmethyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C8H13N3O2/c1-6(2)11-7(4-5-9-11)10-8(12)13-3/h4-6H,1-3H3,(H,10,12)
InChIKeyORWAYAPFIPMNOF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.64
Rot. Bonds2

About methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate

methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 115619372) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID115619372
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCOC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C8H13N3O2/c1-6(2)11-7(4-5-9-11)10-8(12)13-3/h4-6H,1-3H3,(H,10,12)
InChIKeyORWAYAPFIPMNOF-UHFFFAOYSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 130581119
tert-butyl N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]carbamate
CID 30184302
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate (CID 115619372) is methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate is COC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is ORWAYAPFIPMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)11-7(4-5-9-11)10-8(12)13-3/h4-6H,1-3H3,(H,10,12).
What are the key properties of methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 115619372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).