[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate

C11H12N4O3 — CID 67041372

IUPAC[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
SMILESCOc1ccccc1-n1ncc(OC(N)=O)c1N
InChIInChI=1S/C11H12N4O3/c1-17-8-5-3-2-4-7(8)15-10(12)9(6-14-15)18-11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyHIEWSXUCZUOKDT-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.92
Rot. Bonds3

About [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate

[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate (PubChem CID 67041372) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
PubChem CID67041372
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
SMILESCOc1ccccc1-n1ncc(OC(N)=O)c1N
InChIInChI=1S/C11H12N4O3/c1-17-8-5-3-2-4-7(8)15-10(12)9(6-14-15)18-11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyHIEWSXUCZUOKDT-UHFFFAOYSA-N
XLogP0.92
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate
CID 67041420
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
CID 87898400
CID 87898400
(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
CID 70483568
4-[(dipropylamino)methyl]-1-(2-methoxyphenyl)pyrazol-5-amine
CID 82171697
1-(2-methoxyphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175940957
5-bromo-2-(2-methoxyphenyl)pyridazin-3-one
CID 134828443
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
4-iodo-1-(2-methoxyphenyl)-3-methylpyrazol-5-amine
CID 63035065

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate?
The IUPAC name of [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate (CID 67041372) is [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate.
What is the SMILES notation for [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate?
The canonical SMILES for [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate is COc1ccccc1-n1ncc(OC(N)=O)c1N.
What is the InChIKey of [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate?
The InChIKey is HIEWSXUCZUOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-5-3-2-4-7(8)15-10(12)9(6-14-15)18-11(13)16/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate?
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate has a molecular weight of 248.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate is sourced from PubChem (CID 67041372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).