methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate

C9H13N3O2 — CID 134798076

IUPACmethyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C9H13N3O2/c1-12-8(10-9(13)14-2)5-7(11-12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyFOALNDJTGDKBJR-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.48
Rot. Bonds2

About methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate

methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate (PubChem CID 134798076) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
PubChem CID134798076
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
SMILESCOC(=O)Nc1cc(C2CC2)nn1C
InChIInChI=1S/C9H13N3O2/c1-12-8(10-9(13)14-2)5-7(11-12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyFOALNDJTGDKBJR-UHFFFAOYSA-N
XLogP1.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(triazol-1-yl)acetamide
CID 29001156
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
methyl N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)carbamate
CID 134799813
methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 3821881
N'-(3-cyclopropyl-1-methylpyrazol-5-yl)-N-[[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]methyl]oxamide
CID 166272344

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate?
The IUPAC name of methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate (CID 134798076) is methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate?
The canonical SMILES for methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate is COC(=O)Nc1cc(C2CC2)nn1C.
What is the InChIKey of methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate?
The InChIKey is FOALNDJTGDKBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-8(10-9(13)14-2)5-7(11-12)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate?
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate has a molecular weight of 195.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate is sourced from PubChem (CID 134798076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).