(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

C20H26N4O — CID 122134961

IUPAC(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCC(CC)n1ncc(C(=O)N2CCC=C(c3ccncc3)C2)c1C
InChIInChI=1S/C20H26N4O/c1-4-18(5-2)24-15(3)19(13-22-24)20(25)23-12-6-7-17(14-23)16-8-10-21-11-9-16/h7-11,13,18H,4-6,12,14H2,1-3H3
InChIKeyJZSJHMVCJSRNKT-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.88
Rot. Bonds5

About (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 122134961) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID122134961
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCC(CC)n1ncc(C(=O)N2CCC=C(c3ccncc3)C2)c1C
InChIInChI=1S/C20H26N4O/c1-4-18(5-2)24-15(3)19(13-22-24)20(25)23-12-6-7-17(14-23)16-8-10-21-11-9-16/h7-11,13,18H,4-6,12,14H2,1-3H3
InChIKeyJZSJHMVCJSRNKT-UHFFFAOYSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125142867
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
3-[1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 120536660
(3S,4S)-3,4-dimethyl-1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 138002794
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691690
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120514993
4-methyl-N'-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperazine-1-carbohydrazide
CID 122141267
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
tert-butyl 5-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169312691

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 122134961) is (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is CCC(CC)n1ncc(C(=O)N2CCC=C(c3ccncc3)C2)c1C.
What is the InChIKey of (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is JZSJHMVCJSRNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-18(5-2)24-15(3)19(13-22-24)20(25)23-12-6-7-17(14-23)16-8-10-21-11-9-16/h7-11,13,18H,4-6,12,14H2,1-3H3.
What are the key properties of (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-pentan-3-ylpyrazol-4-yl)-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 122134961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).