3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide

C13H16N4O — CID 15943466

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
SMILESCc1cc(C)n(CCC(=O)Nc2cccnc2)n1
InChIInChI=1S/C13H16N4O/c1-10-8-11(2)17(16-10)7-5-13(18)15-12-4-3-6-14-9-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18)
InChIKeyIIURTBCLOOTYSR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.92
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide (PubChem CID 15943466) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
PubChem CID15943466
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
SMILESCc1cc(C)n(CCC(=O)Nc2cccnc2)n1
InChIInChI=1S/C13H16N4O/c1-10-8-11(2)17(16-10)7-5-13(18)15-12-4-3-6-14-9-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18)
InChIKeyIIURTBCLOOTYSR-UHFFFAOYSA-N
XLogP1.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609750
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-[3-(aminomethyl)phenyl]-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16782185
methyl 3-[2-[3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]ethynyl]benzoate
CID 30750673
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide (CID 15943466) is 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide is Cc1cc(C)n(CCC(=O)Nc2cccnc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide?
The InChIKey is IIURTBCLOOTYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-8-11(2)17(16-10)7-5-13(18)15-12-4-3-6-14-9-12/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 15943466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).