N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H24FN3O — CID 134035164

IUPACN-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O/c1-15-20(16(2)26(3)25-15)13-14-21(27)24-22(17-7-5-4-6-8-17)18-9-11-19(23)12-10-18/h4-12,22H,13-14H2,1-3H3,(H,24,27)
InChIKeyXPBOEUQXQMKGOB-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.01
Rot. Bonds6

About N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 134035164) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID134035164
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O/c1-15-20(16(2)26(3)25-15)13-14-21(27)24-22(17-7-5-4-6-8-17)18-9-11-19(23)12-10-18/h4-12,22H,13-14H2,1-3H3,(H,24,27)
InChIKeyXPBOEUQXQMKGOB-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70737078
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55592890
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134051720
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-(2-amino-1-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120567448

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 134035164) is N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XPBOEUQXQMKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15-20(16(2)26(3)25-15)13-14-21(27)24-22(17-7-5-4-6-8-17)18-9-11-19(23)12-10-18/h4-12,22H,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 134035164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).