1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

C24H23N3O2 — CID 1053790

IUPAC1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H23N3O2/c1-16-11-12-21(17(2)14-16)27-22(15-20(26-27)23-10-7-13-29-23)24(28)25-18(3)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyBYPZDMPYXYCPSL-SFHVURJKSA-N
MW385.47 g/mol
LogP5.24
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide

1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (PubChem CID 1053790) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
PubChem CID1053790
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H23N3O2/c1-16-11-12-21(17(2)14-16)27-22(15-20(26-27)23-10-7-13-29-23)24(28)25-18(3)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyBYPZDMPYXYCPSL-SFHVURJKSA-N
XLogP5.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-(4-methylphenyl)-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 3692522
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053683
N-tert-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 42762329
2-(furan-2-yl)-7-methyl-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040536
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
3-(furan-2-yl)-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-phenylpyrazole-5-carboxamide
CID 167548571
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053783
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 1053837
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 1053817
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide (CID 1053790) is 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
The InChIKey is BYPZDMPYXYCPSL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-11-12-21(17(2)14-16)27-22(15-20(26-27)23-10-7-13-29-23)24(28)25-18(3)19-8-5-4-6-9-19/h4-15,18H,1-3H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide?
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 1053790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).