N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

C18H25N3O — CID 52915206

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n(C)n1
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)18(22)19-17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22)
InChIKeyQFACRICNONJCOG-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.67
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 52915206) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID52915206
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n(C)n1
InChIInChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)18(22)19-17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22)
InChIKeyQFACRICNONJCOG-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
2-[4-(2-methylpropyl)phenyl]-N-(4-methylpyrimidin-2-yl)propanamide
CID 3627237
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
2-chloro-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 43180348
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 52915206) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1cc(NC(=O)C(C)c2ccc(CC(C)C)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is QFACRICNONJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)10-15-6-8-16(9-7-15)14(4)18(22)19-17-11-13(3)20-21(17)5/h6-9,11-12,14H,10H2,1-5H3,(H,19,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 299.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 52915206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).