2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one

C14H19N5O2 — CID 110257085

IUPAC2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one
SMILESCn1ccc(C(=O)N2CCCC(c3cc(=O)n(C)[nH]3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-17-7-5-11(15-17)14(21)19-6-3-4-10(9-19)12-8-13(20)18(2)16-12/h5,7-8,10,16H,3-4,6,9H2,1-2H3
InChIKeyVYLFOVCKWLJCKZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.47
Rot. Bonds2

About 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one

2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one (PubChem CID 110257085) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one
PubChem CID110257085
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one
SMILESCn1ccc(C(=O)N2CCCC(c3cc(=O)n(C)[nH]3)C2)n1
InChIInChI=1S/C14H19N5O2/c1-17-7-5-11(15-17)14(21)19-6-3-4-10(9-19)12-8-13(20)18(2)16-12/h5,7-8,10,16H,3-4,6,9H2,1-2H3
InChIKeyVYLFOVCKWLJCKZ-UHFFFAOYSA-N
XLogP0.47
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217936
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53566469
4-ethyl-5-({1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56875666
3-ethyl-2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216183
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597
N-methyl-1-(piperidin-3-yl)-1H-pyrazole-3-carboxamide hydrochloride
CID 86775453
3,3-dimethyl-4-(1-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 25843701
4-(1-ethyl-1H-pyrazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 42138640
(1-ethyl-1H-pyrazol-3-yl){4-[(4-methylpiperidino)methyl]-1-azepanyl}methanone
CID 91919817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one (CID 110257085) is 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one is Cn1ccc(C(=O)N2CCCC(c3cc(=O)n(C)[nH]3)C2)n1.
What is the InChIKey of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one?
The InChIKey is VYLFOVCKWLJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17-7-5-11(15-17)14(21)19-6-3-4-10(9-19)12-8-13(20)18(2)16-12/h5,7-8,10,16H,3-4,6,9H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one?
2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 110257085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).