1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol

C26H29N3O3 — CID 46026618

IUPAC1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1
InChIInChI=1S/C26H29N3O3/c1-3-21(30)17-29(18-23-15-10-16-31-23)19-24-25(20-11-6-4-7-12-20)27-28(2)26(24)32-22-13-8-5-9-14-22/h4-16,21,30H,3,17-19H2,1-2H3
InChIKeyPFZAWMFOFMINBG-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.25
Rot. Bonds10

About 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol

1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol (PubChem CID 46026618) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
PubChem CID46026618
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1
InChIInChI=1S/C26H29N3O3/c1-3-21(30)17-29(18-23-15-10-16-31-23)19-24-25(20-11-6-4-7-12-20)27-28(2)26(24)32-22-13-8-5-9-14-22/h4-16,21,30H,3,17-19H2,1-2H3
InChIKeyPFZAWMFOFMINBG-UHFFFAOYSA-N
XLogP5.25
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol with MolForge

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Related Compounds

(2S)-1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]pentan-2-ol
CID 93219945
(2R)-1-ethoxy-3-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 93219965
(2R)-1-ethoxy-3-[furan-2-ylmethyl-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]propan-2-ol
CID 93219171
(2R)-1-[[5-(3-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93219542
(2R)-1-[furan-2-ylmethyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93218728
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]hexan-2-ol
CID 42843925
1-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl-propan-2-ylamino]butan-2-ol
CID 46025462
1-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-propylamino]butan-2-ol
CID 46026543
1-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]butan-2-ol
CID 46026234
1-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 46026380
(2R)-1-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93218572
(2S)-1-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]butan-2-ol
CID 93217867

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol (CID 46026618) is 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol is CCC(O)CN(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1.
What is the InChIKey of 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol?
The InChIKey is PFZAWMFOFMINBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-21(30)17-29(18-23-15-10-16-31-23)19-24-25(20-11-6-4-7-12-20)27-28(2)26(24)32-22-13-8-5-9-14-22/h4-16,21,30H,3,17-19H2,1-2H3.
What are the key properties of 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol?
1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol has a molecular weight of 431.54 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]amino]butan-2-ol is sourced from PubChem (CID 46026618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).