2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol

C17H25N3O — CID 63193910

IUPAC2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESCN(Cc1cnn(C)c1)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-17(2,16(21)15-8-6-5-7-9-15)13-19(3)11-14-10-18-20(4)12-14/h5-10,12,16,21H,11,13H2,1-4H3
InChIKeyQNWUQWYYMZZOKV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol

2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol (PubChem CID 63193910) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
PubChem CID63193910
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
SMILESCN(Cc1cnn(C)c1)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-17(2,16(21)15-8-6-5-7-9-15)13-19(3)11-14-10-18-20(4)12-14/h5-10,12,16,21H,11,13H2,1-4H3
InChIKeyQNWUQWYYMZZOKV-UHFFFAOYSA-N
XLogP2.61
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
(2R)-2-(3-ethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetic acid
CID 97204167
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
CID 76949048
1-methyl-3-[(1R)-2-methyl-1-phenylpropyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 30302557
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol (CID 63193910) is 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol is CN(Cc1cnn(C)c1)CC(C)(C)C(O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is QNWUQWYYMZZOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,16(21)15-8-6-5-7-9-15)13-19(3)11-14-10-18-20(4)12-14/h5-10,12,16,21H,11,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol?
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 63193910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).