3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide

C17H20N6O — CID 56742178

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NCc2cccnc2-n2ccnc2)c1C
InChIInChI=1S/C17H20N6O/c1-12-13(2)21-22-15(12)5-6-16(24)20-10-14-4-3-7-19-17(14)23-9-8-18-11-23/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNWAFLBAXOVBQPS-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.86
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 56742178) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID56742178
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NCc2cccnc2-n2ccnc2)c1C
InChIInChI=1S/C17H20N6O/c1-12-13(2)21-22-15(12)5-6-16(24)20-10-14-4-3-7-19-17(14)23-9-8-18-11-23/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNWAFLBAXOVBQPS-UHFFFAOYSA-N
XLogP1.86
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide (CID 56742178) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide is Cc1[nH]nc(CCC(=O)NCc2cccnc2-n2ccnc2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is NWAFLBAXOVBQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-13(2)21-22-15(12)5-6-16(24)20-10-14-4-3-7-19-17(14)23-9-8-18-11-23/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 324.39 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 56742178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).