[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate

C12H14N4O2 — CID 67041420

IUPAC[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate
SMILESCc1cccc(C)c1-n1ncc(OC(N)=O)c1N
InChIInChI=1S/C12H14N4O2/c1-7-4-3-5-8(2)10(7)16-11(13)9(6-15-16)18-12(14)17/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyGYRDUWPDSRRMPE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.53
Rot. Bonds2

About [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate

[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate (PubChem CID 67041420) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate
PubChem CID67041420
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate
SMILESCc1cccc(C)c1-n1ncc(OC(N)=O)c1N
InChIInChI=1S/C12H14N4O2/c1-7-4-3-5-8(2)10(7)16-11(13)9(6-15-16)18-12(14)17/h3-6H,13H2,1-2H3,(H2,14,17)
InChIKeyGYRDUWPDSRRMPE-UHFFFAOYSA-N
XLogP1.53
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate?
The IUPAC name of [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate (CID 67041420) is [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate.
What is the SMILES notation for [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate?
The canonical SMILES for [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate is Cc1cccc(C)c1-n1ncc(OC(N)=O)c1N.
What is the InChIKey of [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate?
The InChIKey is GYRDUWPDSRRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-4-3-5-8(2)10(7)16-11(13)9(6-15-16)18-12(14)17/h3-6H,13H2,1-2H3,(H2,14,17).
What are the key properties of [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate?
[5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate has a molecular weight of 246.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,6-dimethylphenyl)pyrazol-4-yl] carbamate is sourced from PubChem (CID 67041420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).