1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate

C25H22FN3O2 — CID 141384399

IUPAC1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(-c2ccc(-c3ccccc3)cc2)cnn1C)c1ccccc1F
InChIInChI=1S/C25H22FN3O2/c1-17(21-10-6-7-11-23(21)26)31-25(30)28-24-22(16-27-29(24)2)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17H,1-2H3,(H,28,30)
InChIKeyYLAUVGPOTYQFNM-UHFFFAOYSA-N
MW415.47 g/mol
LogP6.20
Rot. Bonds5

About 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate

1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate (PubChem CID 141384399) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Name1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate
PubChem CID141384399
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(-c2ccc(-c3ccccc3)cc2)cnn1C)c1ccccc1F
InChIInChI=1S/C25H22FN3O2/c1-17(21-10-6-7-11-23(21)26)31-25(30)28-24-22(16-27-29(24)2)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17H,1-2H3,(H,28,30)
InChIKeyYLAUVGPOTYQFNM-UHFFFAOYSA-N
XLogP6.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-phenylethyl] N-[4-(4-aminophenyl)-1-methylpyrazol-5-yl]carbamate
CID 90298894
2-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]acetic acid
CID 70819507
[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl] trifluoromethanesulfonate
CID 88996352
4-fluoro-2-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenoxy]benzoic acid
CID 90298465
4-fluoro-2-[4-[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl]phenoxy]benzoic acid
CID 123185550
1-(2-fluorophenyl)ethyl N-(1,5-dimethyl-3-phenylpyrazol-4-yl)carbamate
CID 141415936
methyl 1-[4-[2-chloro-4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]-5-fluorophenyl]phenyl]cyclopropane-1-carboxylate
CID 78057898
methyl 1-[4-[2,5-difluoro-4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71264564
3-[4-[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl]phenyl]oxetane-3-carboxylic acid
CID 70819452
2-[4-[4-[1-methyl-5-(3-methylbutan-2-yloxycarbonylamino)pyrazol-4-yl]phenyl]phenyl]acetic acid
CID 70856580
2-[2,6-difluoro-4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenoxy]benzoic acid
CID 90298492
(2R)-2-[3-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]prop-2-ynoylamino]propanoic acid
CID 90298856

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate?
The IUPAC name of 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate (CID 141384399) is 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate?
The canonical SMILES for 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate is CC(OC(=O)Nc1c(-c2ccc(-c3ccccc3)cc2)cnn1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate?
The InChIKey is YLAUVGPOTYQFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-17(21-10-6-7-11-23(21)26)31-25(30)28-24-22(16-27-29(24)2)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17H,1-2H3,(H,28,30).
What are the key properties of 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate?
1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate has a molecular weight of 415.47 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)ethyl N-[1-methyl-4-(4-phenylphenyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 141384399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).