1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C16H20F3N3O2 — CID 110010314

IUPAC1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O2/c1-10(15-8-21-22-11(15)2)20-7-13(23)9-24-14-5-3-12(4-6-14)16(17,18)19/h3-6,8,10,13,20,23H,7,9H2,1-2H3,(H,21,22)
InChIKeyWZFOKITXFIDDSD-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.83
Rot. Bonds7

About 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 110010314) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID110010314
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
SMILESCc1[nH]ncc1C(C)NCC(O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3N3O2/c1-10(15-8-21-22-11(15)2)20-7-13(23)9-24-14-5-3-12(4-6-14)16(17,18)19/h3-6,8,10,13,20,23H,7,9H2,1-2H3,(H,21,22)
InChIKeyWZFOKITXFIDDSD-UHFFFAOYSA-N
XLogP2.83
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol with MolForge

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Related Compounds

1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
CID 110010368
1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 133273633
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
1-[(4-methyl-1,3-thiazol-5-yl)methylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 111466530
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736
4,4-dimethyl-1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241739
1-(propan-2-ylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878476
1-(4-fluorophenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909045
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 110010314) is 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is Cc1[nH]ncc1C(C)NCC(O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is WZFOKITXFIDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10(15-8-21-22-11(15)2)20-7-13(23)9-24-14-5-3-12(4-6-14)16(17,18)19/h3-6,8,10,13,20,23H,7,9H2,1-2H3,(H,21,22).
What are the key properties of 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?
1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 343.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 110010314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).