(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol

C29H29F2N3O2 — CID 93231068

IUPAC(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1
InChIInChI=1S/C29H29F2N3O2/c1-20-28(19-33(24-13-14-24)18-26(35)17-21-5-3-2-4-6-21)29(36-27-15-9-23(31)10-16-27)34(32-20)25-11-7-22(30)8-12-25/h2-12,15-16,24,26,35H,13-14,17-19H2,1H3/t26-/m1/s1
InChIKeyKIUWBHZQVJGARZ-AREMUKBSSA-N
MW489.57 g/mol
LogP5.82
Rot. Bonds10

About (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol

(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 93231068) has the molecular formula C29H29F2N3O2 and a molecular weight of 489.57 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
PubChem CID93231068
Molecular FormulaC29H29F2N3O2
Molecular Weight489.57 g/mol
Exact Mass489.22
IUPAC Name(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1
InChIInChI=1S/C29H29F2N3O2/c1-20-28(19-33(24-13-14-24)18-26(35)17-21-5-3-2-4-6-21)29(36-27-15-9-23(31)10-16-27)34(32-20)25-11-7-22(30)8-12-25/h2-12,15-16,24,26,35H,13-14,17-19H2,1H3/t26-/m1/s1
InChIKeyKIUWBHZQVJGARZ-AREMUKBSSA-N
XLogP5.82
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[cyclopropyl-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93218437
(2S)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 93231080
(2S)-1-[cyclopropyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-ethoxypropan-2-ol
CID 93220061
(2S)-1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-cyclopropylamino]-3-ethoxypropan-2-ol
CID 93218004
1-[cyclopropyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46026664
(2R)-1-[cyclopropyl-[[5-(3-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]hex-5-en-2-ol
CID 93230729
1-[cyclopropyl-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46031754
(2R)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
CID 93230447
(2S)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93230441
(2S)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]butan-2-ol
CID 129421360
1-[cyclopropyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42843044
(2R)-1-[cyclopropyl-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]hex-5-en-2-ol
CID 93218041

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol (CID 93231068) is (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol is Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CN(C[C@H](O)Cc1ccccc1)C1CC1.
What is the InChIKey of (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is KIUWBHZQVJGARZ-AREMUKBSSA-N. The full InChI is InChI=1S/C29H29F2N3O2/c1-20-28(19-33(24-13-14-24)18-26(35)17-21-5-3-2-4-6-21)29(36-27-15-9-23(31)10-16-27)34(32-20)25-11-7-22(30)8-12-25/h2-12,15-16,24,26,35H,13-14,17-19H2,1H3/t26-/m1/s1.
What are the key properties of (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol?
(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 489.57 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93231068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).