[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

C17H19N5O2 — CID 126808000

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H19N5O2/c1-11-13(10-18-19-11)12-4-6-22(7-5-12)17(23)15-9-14(20-21-15)16-3-2-8-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyLHHMNIVKVLNGIN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.72
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 126808000) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID126808000
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCc1[nH]ncc1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C17H19N5O2/c1-11-13(10-18-19-11)12-4-6-22(7-5-12)17(23)15-9-14(20-21-15)16-3-2-8-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,21)
InChIKeyLHHMNIVKVLNGIN-UHFFFAOYSA-N
XLogP2.72
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
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[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
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(4-tert-butylazepan-1-yl)-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 86962168
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
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CID 119541109
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120824242
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 86992460
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824241

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 126808000) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is Cc1[nH]ncc1C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is LHHMNIVKVLNGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-13(10-18-19-11)12-4-6-22(7-5-12)17(23)15-9-14(20-21-15)16-3-2-8-24-16/h2-3,8-10,12H,4-7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126808000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).