N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine

C9H17N3O — CID 117125254

IUPACN-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine
SMILESCNCn1cc(OC(C)(C)C)cn1
InChIInChI=1S/C9H17N3O/c1-9(2,3)13-8-5-11-12(6-8)7-10-4/h5-6,10H,7H2,1-4H3
InChIKeyNBXWMLZEBRIHQS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.24
Rot. Bonds3

About N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine

N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine (PubChem CID 117125254) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine
PubChem CID117125254
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine
SMILESCNCn1cc(OC(C)(C)C)cn1
InChIInChI=1S/C9H17N3O/c1-9(2,3)13-8-5-11-12(6-8)7-10-4/h5-6,10H,7H2,1-4H3
InChIKeyNBXWMLZEBRIHQS-UHFFFAOYSA-N
XLogP1.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
CID 117125444
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
2-(1-ethylpyrazol-4-yl)oxy-N-methylbutan-1-amine
CID 116803166
4-[(2-methylpropan-2-yl)oxy]-1-pyrrolidin-3-ylpyrazole
CID 117124968
2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
CID 117125339
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
4-(1-ethylpyrazol-4-yl)oxy-2-methylbutan-2-ol
CID 116802475
N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793470
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine (CID 117125254) is N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine is CNCn1cc(OC(C)(C)C)cn1.
What is the InChIKey of N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine?
The InChIKey is NBXWMLZEBRIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)13-8-5-11-12(6-8)7-10-4/h5-6,10H,7H2,1-4H3.
What are the key properties of N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine?
N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]methanamine is sourced from PubChem (CID 117125254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).