2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

C9H17N3O — CID 61349842

IUPAC2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(C)(C)O)cn1
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-10-4-8-5-11-12(3)6-8/h5-6,10,13H,4,7H2,1-3H3
InChIKeyMEIUTZWMJZSBSD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds4

About 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 61349842) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID61349842
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCn1cc(CNCC(C)(C)O)cn1
InChIInChI=1S/C9H17N3O/c1-9(2,13)7-10-4-8-5-11-12(3)6-8/h5-6,10,13H,4,7H2,1-3H3
InChIKeyMEIUTZWMJZSBSD-UHFFFAOYSA-N
XLogP0.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
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
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 61349842) is 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is Cn1cc(CNCC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is MEIUTZWMJZSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,13)7-10-4-8-5-11-12(3)6-8/h5-6,10,13H,4,7H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61349842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).