[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C18H22N4O4 — CID 70757637

IUPAC[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)n[nH]2)o1
InChIInChI=1S/C18H22N4O4/c1-12-4-5-15(26-12)13-11-14(20-19-13)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyKBYUFYXKEOKQLG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.44
Rot. Bonds3

About [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 70757637) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID70757637
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)n[nH]2)o1
InChIInChI=1S/C18H22N4O4/c1-12-4-5-15(26-12)13-11-14(20-19-13)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyKBYUFYXKEOKQLG-UHFFFAOYSA-N
XLogP1.44
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119520866
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118780350
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 56706591
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119648286
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[2-(aminomethyl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119634590
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
[1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70786688

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 70757637) is [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)n[nH]2)o1.
What is the InChIKey of [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KBYUFYXKEOKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-4-5-15(26-12)13-11-14(20-19-13)17(23)21-6-8-22(9-7-21)18(24)16-3-2-10-25-16/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 70757637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).