ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate

C7H11N3O2 — CID 115630334

IUPACethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1[nH]ncc1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)9-6-5(2)4-8-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyOIRCVVYNCUEAMY-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.29
Rot. Bonds2

About ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate

ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate (PubChem CID 115630334) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
PubChem CID115630334
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1[nH]ncc1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)9-6-5(2)4-8-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyOIRCVVYNCUEAMY-UHFFFAOYSA-N
XLogP1.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104621854
propan-2-yl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 104620556
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
CID 104620175
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
2-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629929
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618937
2-cyclopropyl-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629912
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate (CID 115630334) is ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate is CCOC(=O)Nc1[nH]ncc1C.
What is the InChIKey of ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The InChIKey is OIRCVVYNCUEAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)9-6-5(2)4-8-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate has a molecular weight of 169.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 115630334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).