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

C25H27N3O3 — CID 46026649

IUPAC1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)CC(C)O
InChIInChI=1S/C25H27N3O3/c1-19(29)16-27(17-23-14-9-15-30-23)18-24-20(2)26-28(21-10-5-3-6-11-21)25(24)31-22-12-7-4-8-13-22/h3-15,19,29H,16-18H2,1-2H3
InChIKeyQIKPVXQBYVCMJD-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.95
Rot. Bonds9

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

1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 46026649) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
PubChem CID46026649
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)CC(C)O
InChIInChI=1S/C25H27N3O3/c1-19(29)16-27(17-23-14-9-15-30-23)18-24-20(2)26-28(21-10-5-3-6-11-21)25(24)31-22-12-7-4-8-13-22/h3-15,19,29H,16-18H2,1-2H3
InChIKeyQIKPVXQBYVCMJD-UHFFFAOYSA-N
XLogP4.95
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-methoxypropan-2-ol
CID 46026653
1-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 46029413
(2R)-1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]hex-5-en-2-ol
CID 93220013
(2R)-1-butoxy-3-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 93223026
(2S)-1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93220021
(2S)-1-[furan-2-ylmethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
CID 93218387
(2R)-1-[furan-2-ylmethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
CID 93218389
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 46025818
1-[furan-2-ylmethyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]pentan-2-ol
CID 46025997
1-[furan-2-ylmethyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]butan-2-ol
CID 46025945
(2R)-1-ethoxy-3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-(furan-2-ylmethyl)amino]propan-2-ol
CID 93224496
(2S)-1-[furan-2-ylmethyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]hex-5-en-2-ol
CID 93218257

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol (CID 46026649) is 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol is Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)CC(C)O.
What is the InChIKey of 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is QIKPVXQBYVCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19(29)16-27(17-23-14-9-15-30-23)18-24-20(2)26-28(21-10-5-3-6-11-21)25(24)31-22-12-7-4-8-13-22/h3-15,19,29H,16-18H2,1-2H3.
What are the key properties of 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol?
1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 417.51 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-ylmethyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46026649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).