N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine

C11H21N3O — CID 103033669

IUPACN-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
SMILESCOC(C)(C)CCNc1cn(C)nc1C
InChIInChI=1S/C11H21N3O/c1-9-10(8-14(4)13-9)12-7-6-11(2,3)15-5/h8,12H,6-7H2,1-5H3
InChIKeyLUIZFTPQGXANDL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.96
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine

N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 103033669) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
PubChem CID103033669
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
SMILESCOC(C)(C)CCNc1cn(C)nc1C
InChIInChI=1S/C11H21N3O/c1-9-10(8-14(4)13-9)12-7-6-11(2,3)15-5/h8,12H,6-7H2,1-5H3
InChIKeyLUIZFTPQGXANDL-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 126965542
N-[2-(3-methoxypropoxy)ethyl]-1,3-dimethylpyrazol-4-amine
CID 103179574
N-(3-ethylsulfanylpropyl)-1,3-dimethylpyrazol-4-amine
CID 104956490
N-(3-ethylsulfonylpropyl)-1,3-dimethylpyrazol-4-amine
CID 102805295
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122169129
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine (CID 103033669) is N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine is COC(C)(C)CCNc1cn(C)nc1C.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is LUIZFTPQGXANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-10(8-14(4)13-9)12-7-6-11(2,3)15-5/h8,12H,6-7H2,1-5H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine?
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103033669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).