methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate

C9H15N3O2 — CID 130477952

IUPACmethyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C9H15N3O2/c1-6(2)8-7(5-12(3)11-8)10-9(13)14-4/h5-6H,1-4H3,(H,10,13)
InChIKeyIMDWKHLHLUOALS-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.72
Rot. Bonds2

About methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate

methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate (PubChem CID 130477952) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
PubChem CID130477952
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1cn(C)nc1C(C)C
InChIInChI=1S/C9H15N3O2/c1-6(2)8-7(5-12(3)11-8)10-9(13)14-4/h5-6H,1-4H3,(H,10,13)
InChIKeyIMDWKHLHLUOALS-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 114262609
5-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)hexanamide
CID 114263071
2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide
CID 114263072
3-bromo-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)thiophene-2-carboxamide
CID 114094705
2-amino-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 114263065
ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
CID 114281397
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyrrolidin-3-ylacetamide
CID 114263080
tert-butyl N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]carbamate
CID 171803882
(3R,4S)-3-benzyl-4-hydroxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 138025188
1-[(4-hydroxyoxan-4-yl)methyl]-1-methyl-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 146129133
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate?
The IUPAC name of methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate (CID 130477952) is methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate.
What is the SMILES notation for methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate?
The canonical SMILES for methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate is COC(=O)Nc1cn(C)nc1C(C)C.
What is the InChIKey of methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate?
The InChIKey is IMDWKHLHLUOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)8-7(5-12(3)11-8)10-9(13)14-4/h5-6H,1-4H3,(H,10,13).
What are the key properties of methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate?
methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate has a molecular weight of 197.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-methyl-3-propan-2-ylpyrazol-4-yl)carbamate is sourced from PubChem (CID 130477952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).