(1-methylpyrazol-4-yl) N-ethylcarbamate

C7H11N3O2 — CID 54394842

IUPAC(1-methylpyrazol-4-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-3-8-7(11)12-6-4-9-10(2)5-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyVJEXTCWXLZJIMR-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.53
Rot. Bonds2

About (1-methylpyrazol-4-yl) N-ethylcarbamate

(1-methylpyrazol-4-yl) N-ethylcarbamate (PubChem CID 54394842) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl) N-ethylcarbamate
PubChem CID54394842
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(1-methylpyrazol-4-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cnn(C)c1
InChIInChI=1S/C7H11N3O2/c1-3-8-7(11)12-6-4-9-10(2)5-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyVJEXTCWXLZJIMR-UHFFFAOYSA-N
XLogP0.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116794030
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
(1-methylpyrazol-4-yl) 2,2-difluoroacetate
CID 130634542
(1-methylpyrazol-4-yl) (2R)-2-hydroxypropanoate
CID 130670080
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187
N-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 116794202
(1-propan-2-ylpyrazol-4-yl) N-prop-2-ynylcarbamate
CID 54404189
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 115753072
N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793988
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
N-[[1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-yl]methyl]ethanamine
CID 116793112

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl) N-ethylcarbamate?
The IUPAC name of (1-methylpyrazol-4-yl) N-ethylcarbamate (CID 54394842) is (1-methylpyrazol-4-yl) N-ethylcarbamate.
What is the SMILES notation for (1-methylpyrazol-4-yl) N-ethylcarbamate?
The canonical SMILES for (1-methylpyrazol-4-yl) N-ethylcarbamate is CCNC(=O)Oc1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl) N-ethylcarbamate?
The InChIKey is VJEXTCWXLZJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-8-7(11)12-6-4-9-10(2)5-6/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of (1-methylpyrazol-4-yl) N-ethylcarbamate?
(1-methylpyrazol-4-yl) N-ethylcarbamate has a molecular weight of 169.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl) N-ethylcarbamate is sourced from PubChem (CID 54394842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).