[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

C18H26N4O2 — CID 75471888

IUPAC[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCn1cc(CN2CCN(C(=O)c3ccoc3)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)16-15(11-20(4)19-16)12-21-6-8-22(9-7-21)17(23)14-5-10-24-13-14/h5,10-11,13H,6-9,12H2,1-4H3
InChIKeyOFFNXDJAUGSCNY-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.27
Rot. Bonds3

About [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 75471888) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID75471888
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCn1cc(CN2CCN(C(=O)c3ccoc3)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)16-15(11-20(4)19-16)12-21-6-8-22(9-7-21)17(23)14-5-10-24-13-14/h5,10-11,13H,6-9,12H2,1-4H3
InChIKeyOFFNXDJAUGSCNY-UHFFFAOYSA-N
XLogP2.27
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
[4-[(5-bromofuran-2-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 99791992
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594028
furan-3-yl-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]methanone
CID 110905169
3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(4-chloro-3-nitrophenyl)-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333865
[3-[(4-tert-butylphenoxy)methyl]phenyl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333825
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
CID 111976736
furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 97405332
[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 75471888) is [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is Cn1cc(CN2CCN(C(=O)c3ccoc3)CC2)c(C(C)(C)C)n1.
What is the InChIKey of [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is OFFNXDJAUGSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)16-15(11-20(4)19-16)12-21-6-8-22(9-7-21)17(23)14-5-10-24-13-14/h5,10-11,13H,6-9,12H2,1-4H3.
What are the key properties of [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 75471888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).