1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol

C19H30N4O2 — CID 51104909

IUPAC1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCC(O)COc1ccccc1
InChIInChI=1S/C19H30N4O2/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15(24)13-25-16-9-7-6-8-10-16/h6-10,14-15,20,24H,11-13H2,1-5H3
InChIKeyAAYLLENNPBPNOT-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.14
Rot. Bonds9

About 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol

1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol (PubChem CID 51104909) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
PubChem CID51104909
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCC(O)COc1ccccc1
InChIInChI=1S/C19H30N4O2/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15(24)13-25-16-9-7-6-8-10-16/h6-10,14-15,20,24H,11-13H2,1-5H3
InChIKeyAAYLLENNPBPNOT-UHFFFAOYSA-N
XLogP2.14
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-(4-fluorophenoxy)-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 86884985
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
(2S)-1-phenoxy-3-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethylamino]propan-2-ol
CID 76959364
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
N,N,1-trimethyl-3-propan-2-yl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]pyrazol-5-amine
CID 94823190
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol (CID 51104909) is 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol is CC(C)c1nn(C)c(N(C)C)c1CNCC(O)COc1ccccc1.
What is the InChIKey of 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol?
The InChIKey is AAYLLENNPBPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)18-17(19(22(3)4)23(5)21-18)12-20-11-15(24)13-25-16-9-7-6-8-10-16/h6-10,14-15,20,24H,11-13H2,1-5H3.
What are the key properties of 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol?
1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol has a molecular weight of 346.48 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 51104909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).