1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine

C20H24N4O2 — CID 135096544

IUPAC1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCOc1ccc(-n2cccn2)c(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-25-18-5-6-20(24-8-3-7-21-24)17(14-18)15-22-9-11-23(12-10-22)16-19-4-2-13-26-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyUPLXOPADDFENCV-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.79
Rot. Bonds6

About 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine

1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine (PubChem CID 135096544) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
PubChem CID135096544
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCOc1ccc(-n2cccn2)c(CN2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-25-18-5-6-20(24-8-3-7-21-24)17(14-18)15-22-9-11-23(12-10-22)16-19-4-2-13-26-19/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyUPLXOPADDFENCV-UHFFFAOYSA-N
XLogP2.79
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135111222
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56709076
4-[3-(5-methoxy-2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869588
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 77095109
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
4-methoxy-2-pyrazol-1-ylaniline
CID 16744027

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine (CID 135096544) is 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine is COc1ccc(-n2cccn2)c(CN2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine?
The InChIKey is UPLXOPADDFENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-25-18-5-6-20(24-8-3-7-21-24)17(14-18)15-22-9-11-23(12-10-22)16-19-4-2-13-26-19/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine?
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine has a molecular weight of 352.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine is sourced from PubChem (CID 135096544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).