(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate

C10H17N3O2 — CID 13206777

IUPAC(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-7-8(6-11-13)15-9(14)12(4)5/h6-7H,1-5H3
InChIKeySZBLBOCEZFVXNJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.70
Rot. Bonds1

About (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate

(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate (PubChem CID 13206777) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
PubChem CID13206777
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnn(C(C)(C)C)c1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)13-7-8(6-11-13)15-9(14)12(4)5/h6-7H,1-5H3
InChIKeySZBLBOCEZFVXNJ-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxypyrazol-1-yl)-2-methylpropanoic acid
CID 132990753
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
methyl 2-(1-tert-butylpyrazol-4-yl)acetate
CID 89006356
1-tert-butylpyrazole-4-carbonyl chloride
CID 130058183
3-(1-tert-butylpyrazol-4-yl)oxyphenol
CID 117229457
1-tert-butyl-4-(4-fluorophenoxy)pyrazole
CID 117229577
2-methyl-2-[4-(2,2,2-trifluoroethoxy)pyrazol-1-yl]propanoic acid
CID 132990752
2-methyl-2-[4-(2-methylpropoxy)pyrazol-1-yl]propanoic acid
CID 132990749
(1-tritylpyrazol-4-yl) acetate
CID 174736849
methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
CID 43787222
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
4-(2-bromophenoxy)-1-tert-butylpyrazole
CID 117229324

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate (CID 13206777) is (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cnn(C(C)(C)C)c1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate?
The InChIKey is SZBLBOCEZFVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)13-7-8(6-11-13)15-9(14)12(4)5/h6-7H,1-5H3.
What are the key properties of (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate?
(1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate has a molecular weight of 211.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 13206777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).