(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

C13H21N3O — CID 42656730

IUPAC(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C13H21N3O/c1-4-16-11(3)9-12(14-16)13(17)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyRHRNSSRPDLYWDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds2

About (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone

(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 42656730) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID42656730
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCn1nc(C(=O)N2CCC(C)CC2)cc1C
InChIInChI=1S/C13H21N3O/c1-4-16-11(3)9-12(14-16)13(17)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3
InChIKeyRHRNSSRPDLYWDQ-UHFFFAOYSA-N
XLogP2.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
(1-ethyl-5-methylpyrazol-3-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97121185
[2-(diethylamino)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323152
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709451
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
(1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 35533542
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 110124960
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone (CID 42656730) is (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is CCn1nc(C(=O)N2CCC(C)CC2)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RHRNSSRPDLYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-11(3)9-12(14-16)13(17)15-7-5-10(2)6-8-15/h9-10H,4-8H2,1-3H3.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone?
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42656730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).