(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C18H30N4O — CID 72843662

IUPAC(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCC(N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H30N4O/c1-3-9-22-15(2)17(14-19-22)18(23)21-12-7-16(8-13-21)20-10-5-4-6-11-20/h14,16H,3-13H2,1-2H3
InChIKeyZWWBBCNOUFCLCL-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.69
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 72843662) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID72843662
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCC(N3CCCCC3)CC2)c1C
InChIInChI=1S/C18H30N4O/c1-3-9-22-15(2)17(14-19-22)18(23)21-12-7-16(8-13-21)20-10-5-4-6-11-20/h14,16H,3-13H2,1-2H3
InChIKeyZWWBBCNOUFCLCL-UHFFFAOYSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353878
2-Propyl-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353879
1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72861313

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 72843662) is (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is CCCn1ncc(C(=O)N2CCC(N3CCCCC3)CC2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is ZWWBBCNOUFCLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-9-22-15(2)17(14-19-22)18(23)21-12-7-16(8-13-21)20-10-5-4-6-11-20/h14,16H,3-13H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 318.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 72843662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).