benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate

C23H19FN4O2 — CID 22953951

IUPACbenzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate
SMILESO=C(NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)OCc1ccccc1
InChIInChI=1S/C23H19FN4O2/c24-19-8-6-18(7-9-19)22-21(17-10-12-25-13-11-17)20(27-28-22)14-26-23(29)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)(H,27,28)
InChIKeyUFCFUBUASPEZHG-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.70
Rot. Bonds6

About benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate

benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 22953951) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID22953951
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Namebenzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate
SMILESO=C(NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)OCc1ccccc1
InChIInChI=1S/C23H19FN4O2/c24-19-8-6-18(7-9-19)22-21(17-10-12-25-13-11-17)20(27-28-22)14-26-23(29)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)(H,27,28)
InChIKeyUFCFUBUASPEZHG-UHFFFAOYSA-N
XLogP4.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate (CID 22953951) is benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate is O=C(NCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is UFCFUBUASPEZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-19-8-6-18(7-9-19)22-21(17-10-12-25-13-11-17)20(27-28-22)14-26-23(29)30-15-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,26,29)(H,27,28).
What are the key properties of benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate?
benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 402.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 22953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).