2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol

C10H19N3O — CID 81411652

IUPAC2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCn1cc(CNCC(C)(C)CO)cn1
InChIInChI=1S/C10H19N3O/c1-10(2,8-14)7-11-4-9-5-12-13(3)6-9/h5-6,11,14H,4,7-8H2,1-3H3
InChIKeyCZUPPLZZMXXSOB-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.53
Rot. Bonds5

About 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol

2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol (PubChem CID 81411652) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
PubChem CID81411652
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
SMILESCn1cc(CNCC(C)(C)CO)cn1
InChIInChI=1S/C10H19N3O/c1-10(2,8-14)7-11-4-9-5-12-13(3)6-9/h5-6,11,14H,4,7-8H2,1-3H3
InChIKeyCZUPPLZZMXXSOB-UHFFFAOYSA-N
XLogP0.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79551486
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
1-(5-hydroxy-4,4-dimethylpentyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111505194
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol (CID 81411652) is 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol is Cn1cc(CNCC(C)(C)CO)cn1.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol?
The InChIKey is CZUPPLZZMXXSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,8-14)7-11-4-9-5-12-13(3)6-9/h5-6,11,14H,4,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol?
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 81411652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).