1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone

C18H26N4O — CID 70781287

IUPAC1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
SMILESCCc1cn[nH]c1C1CCCN(Cc2cc(C(C)=O)cn2C)C1
InChIInChI=1S/C18H26N4O/c1-4-14-9-19-20-18(14)15-6-5-7-22(11-15)12-17-8-16(13(2)23)10-21(17)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,19,20)
InChIKeyUZGSFIBUWVTPMT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.89
Rot. Bonds5

About 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone

1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone (PubChem CID 70781287) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
PubChem CID70781287
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone
SMILESCCc1cn[nH]c1C1CCCN(Cc2cc(C(C)=O)cn2C)C1
InChIInChI=1S/C18H26N4O/c1-4-14-9-19-20-18(14)15-6-5-7-22(11-15)12-17-8-16(13(2)23)10-21(17)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,19,20)
InChIKeyUZGSFIBUWVTPMT-UHFFFAOYSA-N
XLogP2.89
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone with MolForge

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Related Compounds

4-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56758097
4-[(3R)-1-[(4-acetyl-1-methylpyrrol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97208045
1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
CID 99961813
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45223704
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone (CID 70781287) is 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone is CCc1cn[nH]c1C1CCCN(Cc2cc(C(C)=O)cn2C)C1.
What is the InChIKey of 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone?
The InChIKey is UZGSFIBUWVTPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-14-9-19-20-18(14)15-6-5-7-22(11-15)12-17-8-16(13(2)23)10-21(17)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone?
1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 70781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).