N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide

C25H22FN3O — CID 5021989

IUPACN-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30)
InChIKeyJZOVJXLHZHAETN-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.94
Rot. Bonds6

About N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 5021989) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID5021989
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1C(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H22FN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30)
InChIKeyJZOVJXLHZHAETN-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(1,2-diphenylethyl)-1-methylpyrazole-5-carboxamide
CID 42759545
N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4557755
N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 812295
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518
N-[(1R)-1,2-diphenylethyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 32914872
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 51053788
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 93101162
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 5021989) is N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccccc2F)cc1C(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JZOVJXLHZHAETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-29-24(17-23(28-29)20-14-8-9-15-21(20)26)25(30)27-22(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2-15,17,22H,16H2,1H3,(H,27,30).
What are the key properties of N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-(2-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 5021989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).