2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone

C11H17N3O — CID 110848830

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C11H17N3O/c1-9-7-10(13-12-9)8-11(15)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyHKWOWLASARBBOK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.27
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone

2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone (PubChem CID 110848830) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
PubChem CID110848830
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C11H17N3O/c1-9-7-10(13-12-9)8-11(15)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13)
InChIKeyHKWOWLASARBBOK-UHFFFAOYSA-N
XLogP1.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
1-[3-[1-(cyclohexanecarbonyl)piperidin-3-yl]pyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 167954604
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 124590634
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 119934619
(3S)-1-(azepan-1-yl)-3-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]butan-1-one
CID 97104008
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136542143
1-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136518974
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120815701
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
ethane;5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 142930412
2-(3,5-dimethylphenyl)-1-piperidin-1-ylethanone;hydrochloride
CID 162318188

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone (CID 110848830) is 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone is Cc1cc(CC(=O)N2CCCCC2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone?
The InChIKey is HKWOWLASARBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-10(13-12-9)8-11(15)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone?
2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone has a molecular weight of 207.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110848830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).