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

C10H17N3O2 — CID 43546929

IUPACtert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCc1n[nH]c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-6-8(7(2)13-12-6)11-9(14)15-10(3,4)5/h1-5H3,(H,11,14)(H,12,13)
InChIKeyOQCBWVXVCKEWLQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.37
Rot. Bonds1

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

tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (PubChem CID 43546929) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
PubChem CID43546929
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCc1n[nH]c(C)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H17N3O2/c1-6-8(7(2)13-12-6)11-9(14)15-10(3,4)5/h1-5H3,(H,11,14)(H,12,13)
InChIKeyOQCBWVXVCKEWLQ-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-Dimethyl-1H-pyrazol-4-yl)butanamide
CID 740336
N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 745362
N'-[(tert-butoxy)carbonyl]-N-(trimethyl-1H-pyrazol-4-yl)(tert-butoxy)carbohydrazide
CID 137943570
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbutanamide
CID 43399085
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxy-3-methylbutanamide
CID 103021266
2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
CID 43547779
N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 854297
Tert-butyl 4-acetamido-3,5-dimethylpyrazole-1-carboxylate
CID 17856064
tert-butyl N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)carbamate
CID 65142573
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanamide
CID 910778
methyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
CID 43398534
N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 43399061

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (CID 43546929) is tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is Cc1n[nH]c(C)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The InChIKey is OQCBWVXVCKEWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6-8(7(2)13-12-6)11-9(14)15-10(3,4)5/h1-5H3,(H,11,14)(H,12,13).
What are the key properties of tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 43546929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).