1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine

C10H19N3O — CID 103007080

IUPAC1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCOCC(C)(N)CCc1ccnn1C
InChIInChI=1S/C10H19N3O/c1-10(11,8-14-3)6-4-9-5-7-12-13(9)2/h5,7H,4,6,8,11H2,1-3H3
InChIKeyKGQSRWPGBSQXIF-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.72
Rot. Bonds5

About 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine

1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103007080) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103007080
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCOCC(C)(N)CCc1ccnn1C
InChIInChI=1S/C10H19N3O/c1-10(11,8-14-3)6-4-9-5-7-12-13(9)2/h5,7H,4,6,8,11H2,1-3H3
InChIKeyKGQSRWPGBSQXIF-UHFFFAOYSA-N
XLogP0.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007076
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546
N,2-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014491
4,4-dimethyl-6-(2-methylpyrazol-3-yl)hexan-2-ol
CID 103016020
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541
5-[3-(bromomethyl)-3-methylpent-4-enyl]-1-methylpyrazole
CID 103018712
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103007080) is 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is COCC(C)(N)CCc1ccnn1C.
What is the InChIKey of 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is KGQSRWPGBSQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(11,8-14-3)6-4-9-5-7-12-13(9)2/h5,7H,4,6,8,11H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103007080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).