[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C22H26N4O3 — CID 19472964

IUPAC[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccco4)CC3)n2)c1
InChIInChI=1S/C22H26N4O3/c1-17-12-18(2)14-20(13-17)29-16-26-6-5-21(23-26)22(27)25-9-7-24(8-10-25)15-19-4-3-11-28-19/h3-6,11-14H,7-10,15-16H2,1-2H3
InChIKeyOOSGOJNJCGXRTJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.09
Rot. Bonds6

About [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19472964) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19472964
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccco4)CC3)n2)c1
InChIInChI=1S/C22H26N4O3/c1-17-12-18(2)14-20(13-17)29-16-26-6-5-21(23-26)22(27)25-9-7-24(8-10-25)15-19-4-3-11-28-19/h3-6,11-14H,7-10,15-16H2,1-2H3
InChIKeyOOSGOJNJCGXRTJ-UHFFFAOYSA-N
XLogP3.09
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19472458
(1-ethylpyrazol-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19279222
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17022181
[1-[(2,4-difluorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19473171
[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472896
[1-[(4-chloro-3-methylphenoxy)methyl]pyrazol-3-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19472805
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 19572528
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 19472780
[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472567
1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate
CID 7017316
[1-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19473181
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]methanone
CID 19473045

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 19472964) is [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is Cc1cc(C)cc(OCn2ccc(C(=O)N3CCN(Cc4ccco4)CC3)n2)c1.
What is the InChIKey of [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OOSGOJNJCGXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-17-12-18(2)14-20(13-17)29-16-26-6-5-21(23-26)22(27)25-9-7-24(8-10-25)15-19-4-3-11-28-19/h3-6,11-14H,7-10,15-16H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19472964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).