[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C20H22N4O3 — CID 19515033

IUPAC[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)[nH]n2)c1
InChIInChI=1S/C20H22N4O3/c1-26-16-5-2-4-15(12-16)18-13-19(22-21-18)20(25)24-9-7-23(8-10-24)14-17-6-3-11-27-17/h2-6,11-13H,7-10,14H2,1H3,(H,21,22)
InChIKeyCNFJSVTZMLAJLR-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.64
Rot. Bonds5

About [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 19515033) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID19515033
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)[nH]n2)c1
InChIInChI=1S/C20H22N4O3/c1-26-16-5-2-4-15(12-16)18-13-19(22-21-18)20(25)24-9-7-23(8-10-24)14-17-6-3-11-27-17/h2-6,11-13H,7-10,14H2,1H3,(H,21,22)
InChIKeyCNFJSVTZMLAJLR-UHFFFAOYSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19515025
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515009
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20865028
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906512
(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
(3-fluorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 46969433
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 19515033) is [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(Cc4ccco4)CC3)[nH]n2)c1.
What is the InChIKey of [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is CNFJSVTZMLAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-16-5-2-4-15(12-16)18-13-19(22-21-18)20(25)24-9-7-23(8-10-24)14-17-6-3-11-27-17/h2-6,11-13H,7-10,14H2,1H3,(H,21,22).
What are the key properties of [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 366.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 19515033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).