6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one

C16H21N5O2 — CID 110106439

IUPAC6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCCC(Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-12-4-5-15(22)21(19-12)11-16(23)20-8-2-3-13(10-20)9-14-6-7-17-18-14/h4-7,13H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyNWDAPGINYJARAM-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.76
Rot. Bonds4

About 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one

6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 110106439) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID110106439
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCCC(Cc3ccn[nH]3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-12-4-5-15(22)21(19-12)11-16(23)20-8-2-3-13(10-20)9-14-6-7-17-18-14/h4-7,13H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyNWDAPGINYJARAM-UHFFFAOYSA-N
XLogP0.76
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124992393
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
2-[2-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 56865461
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
3-[2-oxo-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 125023822
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one (CID 110106439) is 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCCC(Cc3ccn[nH]3)C2)n1.
What is the InChIKey of 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is NWDAPGINYJARAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-4-5-15(22)21(19-12)11-16(23)20-8-2-3-13(10-20)9-14-6-7-17-18-14/h4-7,13H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 315.38 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-oxo-2-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 110106439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).