ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate

C8H14N4O2 — CID 10559867

IUPACethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCCOC(=O)Nc1c(C)nn(C)c1N
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)10-6-5(2)11-12(3)7(6)9/h4,9H2,1-3H3,(H,10,13)
InChIKeyFVDDENPKMUMDDO-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.88
Rot. Bonds2

About ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate

ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate (PubChem CID 10559867) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
PubChem CID10559867
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate
SMILESCCOC(=O)Nc1c(C)nn(C)c1N
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)10-6-5(2)11-12(3)7(6)9/h4,9H2,1-3H3,(H,10,13)
InChIKeyFVDDENPKMUMDDO-UHFFFAOYSA-N
XLogP0.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethoxycarbonylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110479357
ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate
CID 155663388
ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate
CID 171384398
ethyl 5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 110478908
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl N-(5-bromo-1,4-dimethyl-2-oxo-3-pyridinyl)carbamate
CID 139371054
ethyl 4-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]butanoate
CID 60671988
ethyl 4-ethyl-1,3-dimethylpyrazole-5-carboxylate
CID 151322614
ethyl N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;hydrochloride
CID 175905968
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate?
The IUPAC name of ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate (CID 10559867) is ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate.
What is the SMILES notation for ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate?
The canonical SMILES for ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate is CCOC(=O)Nc1c(C)nn(C)c1N.
What is the InChIKey of ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate?
The InChIKey is FVDDENPKMUMDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-14-8(13)10-6-5(2)11-12(3)7(6)9/h4,9H2,1-3H3,(H,10,13).
What are the key properties of ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate?
ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate has a molecular weight of 198.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-amino-1,3-dimethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 10559867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).