[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate

C14H18FN3O2 — CID 15136688

IUPAC[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=NN(c2ccccc2F)CC1(C)C
InChIInChI=1S/C14H18FN3O2/c1-14(2)9-18(11-8-6-5-7-10(11)15)16-12(14)20-13(19)17(3)4/h5-8H,9H2,1-4H3
InChIKeyAOJASNSYEKRPDH-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.68
Rot. Bonds1

About [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate

[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate (PubChem CID 15136688) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate
PubChem CID15136688
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1=NN(c2ccccc2F)CC1(C)C
InChIInChI=1S/C14H18FN3O2/c1-14(2)9-18(11-8-6-5-7-10(11)15)16-12(14)20-13(19)17(3)4/h5-8H,9H2,1-4H3
InChIKeyAOJASNSYEKRPDH-UHFFFAOYSA-N
XLogP2.68
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
(2-fluorophenyl) 1-(2-fluorophenyl)pyrazole-3-carboxylate
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[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate
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CID 75371035

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate (CID 15136688) is [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1=NN(c2ccccc2F)CC1(C)C.
What is the InChIKey of [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate?
The InChIKey is AOJASNSYEKRPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(2)9-18(11-8-6-5-7-10(11)15)16-12(14)20-13(19)17(3)4/h5-8H,9H2,1-4H3.
What are the key properties of [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate?
[2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate has a molecular weight of 279.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-4,4-dimethyl-3H-pyrazol-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 15136688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).