N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C23H25FN4O2 — CID 34333616

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1)C(C)=O
InChIInChI=1S/C23H25FN4O2/c1-5-27(17(4)29)14-18-7-6-8-20(13-18)25-23(30)22-15(2)26-28(16(22)3)21-11-9-19(24)10-12-21/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyUGDSIBRBSJWFAV-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.25
Rot. Bonds6

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 34333616) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID34333616
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(Cc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1)C(C)=O
InChIInChI=1S/C23H25FN4O2/c1-5-27(17(4)29)14-18-7-6-8-20(13-18)25-23(30)22-15(2)26-28(16(22)3)21-11-9-19(24)10-12-21/h6-13H,5,14H2,1-4H3,(H,25,30)
InChIKeyUGDSIBRBSJWFAV-UHFFFAOYSA-N
XLogP4.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
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CID 25336520
N-ethyl-1-(4-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 60592438
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46671077
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915450
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
N-[3-(diethylaminomethyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 46449018
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 47927121
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
1-(4-fluorophenyl)-3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 25492307
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 34333616) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is CCN(Cc1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is UGDSIBRBSJWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-5-27(17(4)29)14-18-7-6-8-20(13-18)25-23(30)22-15(2)26-28(16(22)3)21-11-9-19(24)10-12-21/h6-13H,5,14H2,1-4H3,(H,25,30).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 34333616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).