methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate

C7H11N3O2 — CID 43398534

IUPACmethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(5(2)10-9-4)8-7(11)12-3/h1-3H3,(H,8,11)(H,9,10)
InChIKeyNEAWGDVBRDEHIT-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.20
Rot. Bonds1

About methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate

methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (PubChem CID 43398534) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
PubChem CID43398534
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCOC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C7H11N3O2/c1-4-6(5(2)10-9-4)8-7(11)12-3/h1-3H3,(H,8,11)(H,9,10)
InChIKeyNEAWGDVBRDEHIT-UHFFFAOYSA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (CID 43398534) is methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is COC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The InChIKey is NEAWGDVBRDEHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(5(2)10-9-4)8-7(11)12-3/h1-3H3,(H,8,11)(H,9,10).
What are the key properties of methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate has a molecular weight of 169.18 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 43398534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).