2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide

C16H22N4O2 — CID 122570848

IUPAC2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1
InChIInChI=1S/C16H22N4O2/c1-3-4-7-14(12-6-5-8-17-10-12)18-15(21)9-13-11(2)19-20-16(13)22/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyMNUPGVQEJUFTIC-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide

2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide (PubChem CID 122570848) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
PubChem CID122570848
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1
InChIInChI=1S/C16H22N4O2/c1-3-4-7-14(12-6-5-8-17-10-12)18-15(21)9-13-11(2)19-20-16(13)22/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H2,19,20,22)
InChIKeyMNUPGVQEJUFTIC-UHFFFAOYSA-N
XLogP2.00
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 91783750
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
CID 91774680
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
3-oxo-N-[(1S)-1-pyridin-3-ylpentyl]-1,4-diazepane-1-carboxamide
CID 125448228
N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 5393103
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 118782889
methyl (3R)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
CID 96558332
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
ethane;[2-(octanoylamino)-2-pyridin-3-ylethyl] dihydrogen phosphate
CID 91028509
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide (CID 122570848) is 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide is CCCCC(NC(=O)Cc1c(C)[nH][nH]c1=O)c1cccnc1.
What is the InChIKey of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
The InChIKey is MNUPGVQEJUFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-4-7-14(12-6-5-8-17-10-12)18-15(21)9-13-11(2)19-20-16(13)22/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide?
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide is sourced from PubChem (CID 122570848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).