[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate

C16H14FN5O2 — CID 23068694

IUPAC[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O2/c1-2-18-16(23)24-15-19-8-7-13(21-15)12-9-20-22-14(12)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,23)(H,20,22)
InChIKeyPPAQGYOTMVTZFA-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.78
Rot. Bonds4

About [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate

[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate (PubChem CID 23068694) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate
PubChem CID23068694
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate
SMILESCCNC(=O)Oc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O2/c1-2-18-16(23)24-15-19-8-7-13(21-15)12-9-20-22-14(12)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,23)(H,20,22)
InChIKeyPPAQGYOTMVTZFA-UHFFFAOYSA-N
XLogP2.78
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate 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 [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate?
The IUPAC name of [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate (CID 23068694) is [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate.
What is the SMILES notation for [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate?
The canonical SMILES for [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate is CCNC(=O)Oc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate?
The InChIKey is PPAQGYOTMVTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-2-18-16(23)24-15-19-8-7-13(21-15)12-9-20-22-14(12)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,23)(H,20,22).
What are the key properties of [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate?
[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate has a molecular weight of 327.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl] N-ethylcarbamate is sourced from PubChem (CID 23068694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).