benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate

C22H17FN4O2 — CID 86719372

IUPACbenzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-n2ccc(-c3ccccn3)n2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C22H17FN4O2/c23-18-14-17(25-22(28)29-15-16-6-2-1-3-7-16)9-10-21(18)27-13-11-20(26-27)19-8-4-5-12-24-19/h1-14H,15H2,(H,25,28)
InChIKeyRTDAOOHAHCELJI-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.82
Rot. Bonds5

About benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate

benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate (PubChem CID 86719372) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate
PubChem CID86719372
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Namebenzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(-n2ccc(-c3ccccn3)n2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C22H17FN4O2/c23-18-14-17(25-22(28)29-15-16-6-2-1-3-7-16)9-10-21(18)27-13-11-20(26-27)19-8-4-5-12-24-19/h1-14H,15H2,(H,25,28)
InChIKeyRTDAOOHAHCELJI-UHFFFAOYSA-N
XLogP4.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-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 benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate (CID 86719372) is benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate is O=C(Nc1ccc(-n2ccc(-c3ccccn3)n2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate?
The InChIKey is RTDAOOHAHCELJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-14-17(25-22(28)29-15-16-6-2-1-3-7-16)9-10-21(18)27-13-11-20(26-27)19-8-4-5-12-24-19/h1-14H,15H2,(H,25,28).
What are the key properties of benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate?
benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate has a molecular weight of 388.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-fluoro-4-(3-pyridin-2-ylpyrazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 86719372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).