(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol

C20H22FN3O2 — CID 9453079

IUPAC(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H](C)O
InChIInChI=1S/C20H22FN3O2/c1-14(25)12-22-13-19-15(2)23-24(17-6-4-3-5-7-17)20(19)26-18-10-8-16(21)9-11-18/h3-11,14,22,25H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyVZHOVFPWFVJADZ-CQSZACIVSA-N
MW355.41 g/mol
LogP3.58
Rot. Bonds7

About (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol

(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 9453079) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
PubChem CID9453079
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H](C)O
InChIInChI=1S/C20H22FN3O2/c1-14(25)12-22-13-19-15(2)23-24(17-6-4-3-5-7-17)20(19)26-18-10-8-16(21)9-11-18/h3-11,14,22,25H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyVZHOVFPWFVJADZ-CQSZACIVSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
(2R)-1-[[(2S)-butan-2-yl]-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 99731704
4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069031
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
1-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 46032051
1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46030296
(2R)-1-[cyclopropyl-[[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93231068
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
1-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea
CID 7934595
(2R)-1-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]propan-2-ol
CID 93227431
(2R)-1-[cyclopropylmethyl-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93227548

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol (CID 9453079) is (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNC[C@@H](C)O.
What is the InChIKey of (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is VZHOVFPWFVJADZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14(25)12-22-13-19-15(2)23-24(17-6-4-3-5-7-17)20(19)26-18-10-8-16(21)9-11-18/h3-11,14,22,25H,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol?
(2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 355.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 9453079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).