(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate

C19H26FN3O2 — CID 122453561

IUPAC(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate
SMILESCc1nn(C)c(F)c1OC(=O)Nc1ccccc1C(C)CC(C)(C)C
InChIInChI=1S/C19H26FN3O2/c1-12(11-19(3,4)5)14-9-7-8-10-15(14)21-18(24)25-16-13(2)22-23(6)17(16)20/h7-10,12H,11H2,1-6H3,(H,21,24)
InChIKeyCSUUVWYXEWDVFC-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.02
Rot. Bonds4

About (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate

(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate (PubChem CID 122453561) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate
PubChem CID122453561
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate
SMILESCc1nn(C)c(F)c1OC(=O)Nc1ccccc1C(C)CC(C)(C)C
InChIInChI=1S/C19H26FN3O2/c1-12(11-19(3,4)5)14-9-7-8-10-15(14)21-18(24)25-16-13(2)22-23(6)17(16)20/h7-10,12H,11H2,1-6H3,(H,21,24)
InChIKeyCSUUVWYXEWDVFC-UHFFFAOYSA-N
XLogP5.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate?
The IUPAC name of (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate (CID 122453561) is (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate.
What is the SMILES notation for (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate?
The canonical SMILES for (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate is Cc1nn(C)c(F)c1OC(=O)Nc1ccccc1C(C)CC(C)(C)C.
What is the InChIKey of (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate?
The InChIKey is CSUUVWYXEWDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-12(11-19(3,4)5)14-9-7-8-10-15(14)21-18(24)25-16-13(2)22-23(6)17(16)20/h7-10,12H,11H2,1-6H3,(H,21,24).
What are the key properties of (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate?
(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate has a molecular weight of 347.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate is sourced from PubChem (CID 122453561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).