[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate

C20H22N4O2 — CID 19927888

IUPAC[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate
SMILESCc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1OC(=O)N(C)C
InChIInChI=1S/C20H22N4O2/c1-14-12-16(13-15(2)19(14)26-20(25)23(3)4)21-18-10-11-24(22-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,21,22)
InChIKeyXAWYMWAVYJUAMR-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.29
Rot. Bonds4

About [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate

[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate (PubChem CID 19927888) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate
PubChem CID19927888
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate
SMILESCc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1OC(=O)N(C)C
InChIInChI=1S/C20H22N4O2/c1-14-12-16(13-15(2)19(14)26-20(25)23(3)4)21-18-10-11-24(22-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,21,22)
InChIKeyXAWYMWAVYJUAMR-UHFFFAOYSA-N
XLogP4.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate (CID 19927888) is [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate is Cc1cc(Nc2ccn(-c3ccccc3)n2)cc(C)c1OC(=O)N(C)C.
What is the InChIKey of [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate?
The InChIKey is XAWYMWAVYJUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-12-16(13-15(2)19(14)26-20(25)23(3)4)21-18-10-11-24(22-18)17-8-6-5-7-9-17/h5-13H,1-4H3,(H,21,22).
What are the key properties of [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate?
[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate has a molecular weight of 350.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 19927888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).