phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate

C24H20FN5O3 — CID 167377695

IUPACphenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(-c2cnc(C3(F)COC3)nc2)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C24H20FN5O3/c1-16-20(17-12-26-22(27-13-17)24(25)14-32-15-24)29-30(18-8-4-2-5-9-18)21(16)28-23(31)33-19-10-6-3-7-11-19/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyCPEOWAJPRLTMRH-UHFFFAOYSA-N
MW445.45 g/mol
LogP4.44
Rot. Bonds5

About phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate

phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate (PubChem CID 167377695) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
PubChem CID167377695
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Namephenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate
SMILESCc1c(-c2cnc(C3(F)COC3)nc2)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1
InChIInChI=1S/C24H20FN5O3/c1-16-20(17-12-26-22(27-13-17)24(25)14-32-15-24)29-30(18-8-4-2-5-9-18)21(16)28-23(31)33-19-10-6-3-7-11-19/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyCPEOWAJPRLTMRH-UHFFFAOYSA-N
XLogP4.44
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]carbamate
CID 89189120
phenyl N-[3-(2-fluoroethoxy)-4-methyl-1-phenylpyrazol-5-yl]carbamate
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phenyl 3-methyl-5-[4-methyl-5-(phenoxycarbonylamino)-1-phenylpyrazol-3-yl]imidazol-3-ium-1-carboxylate
CID 90157201
N-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]carbamoyl iodide
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phenyl N-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)carbamate
CID 90168580
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
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[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
phenyl N-[3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
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phenyl N-(3-ethoxy-4-fluoro-1-phenylpyrazol-5-yl)carbamate
CID 118148426
1-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl]-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658049
1-(2-hydroxyspiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 122658048
1-(2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)-3-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]urea
CID 123327662

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate (CID 167377695) is phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate is Cc1c(-c2cnc(C3(F)COC3)nc2)nn(-c2ccccc2)c1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
The InChIKey is CPEOWAJPRLTMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c1-16-20(17-12-26-22(27-13-17)24(25)14-32-15-24)29-30(18-8-4-2-5-9-18)21(16)28-23(31)33-19-10-6-3-7-11-19/h2-13H,14-15H2,1H3,(H,28,31).
What are the key properties of phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate?
phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate has a molecular weight of 445.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-[2-(3-fluorooxetan-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]carbamate is sourced from PubChem (CID 167377695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).