N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide

C18H25N3O2 — CID 134712526

IUPACN-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCCn1nc(C)c(NC(=O)CCc2ccc(OC)cc2)c1C
InChIInChI=1S/C18H25N3O2/c1-5-12-21-14(3)18(13(2)20-21)19-17(22)11-8-15-6-9-16(23-4)10-7-15/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22)
InChIKeyRASTWWJVMMFHRK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.49
Rot. Bonds7

About N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide

N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 134712526) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID134712526
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCCn1nc(C)c(NC(=O)CCc2ccc(OC)cc2)c1C
InChIInChI=1S/C18H25N3O2/c1-5-12-21-14(3)18(13(2)20-21)19-17(22)11-8-15-6-9-16(23-4)10-7-15/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22)
InChIKeyRASTWWJVMMFHRK-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 19337840
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 1497145
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 16933458
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
CID 134709995
2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171866
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 7699065

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide (CID 134712526) is N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide is CCCn1nc(C)c(NC(=O)CCc2ccc(OC)cc2)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is RASTWWJVMMFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-12-21-14(3)18(13(2)20-21)19-17(22)11-8-15-6-9-16(23-4)10-7-15/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,19,22).
What are the key properties of N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide?
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 134712526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).