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

C19H30N4O — CID 51105252

IUPAC1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(C(C)O)cc1
InChIInChI=1S/C19H30N4O/c1-13(2)18-17(19(22(4)5)23(6)21-18)12-20-11-15-7-9-16(10-8-15)14(3)24/h7-10,13-14,20,24H,11-12H2,1-6H3
InChIKeyDRZFMFSKMMGYGR-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.95
Rot. Bonds7

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

1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol (PubChem CID 51105252) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
PubChem CID51105252
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol
SMILESCC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(C(C)O)cc1
InChIInChI=1S/C19H30N4O/c1-13(2)18-17(19(22(4)5)23(6)21-18)12-20-11-15-7-9-16(10-8-15)14(3)24/h7-10,13-14,20,24H,11-12H2,1-6H3
InChIKeyDRZFMFSKMMGYGR-UHFFFAOYSA-N
XLogP2.95
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol?
The IUPAC name of 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol (CID 51105252) is 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol is CC(C)c1nn(C)c(N(C)C)c1CNCc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol?
The InChIKey is DRZFMFSKMMGYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)18-17(19(22(4)5)23(6)21-18)12-20-11-15-7-9-16(10-8-15)14(3)24/h7-10,13-14,20,24H,11-12H2,1-6H3.
What are the key properties of 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol?
1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol has a molecular weight of 330.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]phenyl]ethanol is sourced from PubChem (CID 51105252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).