3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide

C26H33N3O — CID 9398948

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H33N3O/c1-17(2)22-13-10-14-23(18(3)4)26(22)27-25(30)16-15-24-19(5)28-29(20(24)6)21-11-8-7-9-12-21/h7-14,17-18H,15-16H2,1-6H3,(H,27,30)
InChIKeyZKRTWBNHLKOUJT-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.31
Rot. Bonds7

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide (PubChem CID 9398948) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
PubChem CID9398948
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H33N3O/c1-17(2)22-13-10-14-23(18(3)4)26(22)27-25(30)16-15-24-19(5)28-29(20(24)6)21-11-8-7-9-12-21/h7-14,17-18H,15-16H2,1-6H3,(H,27,30)
InChIKeyZKRTWBNHLKOUJT-UHFFFAOYSA-N
XLogP6.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-fluorophenyl)propanamide
CID 9403845
N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
N-(4-bromo-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9428744
N-(2-methyl-6-propan-2-ylphenyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33142823
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 29289363
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 9329096
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9399075
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-(3,5-dichloro-2-pyridinyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 35330902
methyl 3-[3,5-dimethyl-1-[4-[(2-propan-2-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 18228784
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide (CID 9398948) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide is Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide?
The InChIKey is ZKRTWBNHLKOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-17(2)22-13-10-14-23(18(3)4)26(22)27-25(30)16-15-24-19(5)28-29(20(24)6)21-11-8-7-9-12-21/h7-14,17-18H,15-16H2,1-6H3,(H,27,30).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide has a molecular weight of 403.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 9398948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).