[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone

C14H17N3O2 — CID 122557141

IUPAC[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone
SMILESCc1[nH]ncc1-c1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C14H17N3O2/c1-10-11(9-15-16-10)12-5-6-13(19-12)14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyVTAXCSGMKJYEPW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds2

About [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone

[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 122557141) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID122557141
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone
SMILESCc1[nH]ncc1-c1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C14H17N3O2/c1-10-11(9-15-16-10)12-5-6-13(19-12)14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyVTAXCSGMKJYEPW-UHFFFAOYSA-N
XLogP2.60
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 50849651
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(5-fluoro-2-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 72864790
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(2-methyl-1,3-oxazol-5-yl)-pyrrolidin-1-ylmethanone
CID 110702148
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-chlorophenyl)furan-2-yl]methanone
CID 18157487
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone (CID 122557141) is [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone is Cc1[nH]ncc1-c1ccc(C(=O)N2CCCCC2)o1.
What is the InChIKey of [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is VTAXCSGMKJYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-11(9-15-16-10)12-5-6-13(19-12)14(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1H-pyrazol-4-yl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 122557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).