N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C20H25N5O — CID 24672665

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCn3nc(C)cc3C)c2C)cc1
InChIInChI=1S/C20H25N5O/c1-13-6-8-18(9-7-13)25-17(5)20(16(4)23-25)21-19(26)10-11-24-15(3)12-14(2)22-24/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyHKTYOHXCIXCTJM-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.64
Rot. Bonds5

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 24672665) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID24672665
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCn3nc(C)cc3C)c2C)cc1
InChIInChI=1S/C20H25N5O/c1-13-6-8-18(9-7-13)25-17(5)20(16(4)23-25)21-19(26)10-11-24-15(3)12-14(2)22-24/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyHKTYOHXCIXCTJM-UHFFFAOYSA-N
XLogP3.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 30747923
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24667508
3-(2,3-dichlorophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 38950448
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 34134610
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24667507

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 24672665) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1ccc(-n2nc(C)c(NC(=O)CCn3nc(C)cc3C)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is HKTYOHXCIXCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13-6-8-18(9-7-13)25-17(5)20(16(4)23-25)21-19(26)10-11-24-15(3)12-14(2)22-24/h6-9,12H,10-11H2,1-5H3,(H,21,26).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 24672665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).