(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate

C17H17N3O2 — CID 91714781

IUPAC(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC1=NN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-19(14-8-4-2-5-9-14)17(21)22-16-12-13-20(18-16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeySMSUJUUHLNBLEN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.48
Rot. Bonds2

About (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate

(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate (PubChem CID 91714781) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate.

Molecular Properties

Compound Name(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate
PubChem CID91714781
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate
SMILESCN(C(=O)OC1=NN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-19(14-8-4-2-5-9-14)17(21)22-16-12-13-20(18-16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeySMSUJUUHLNBLEN-UHFFFAOYSA-N
XLogP3.48
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate?
The IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate (CID 91714781) is (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate.
What is the SMILES notation for (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate?
The canonical SMILES for (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate is CN(C(=O)OC1=NN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate?
The InChIKey is SMSUJUUHLNBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-19(14-8-4-2-5-9-14)17(21)22-16-12-13-20(18-16)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate?
(2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate has a molecular weight of 295.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3,4-dihydropyrazol-5-yl) N-methyl-N-phenylcarbamate is sourced from PubChem (CID 91714781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).