N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine

C11H21N3O — CID 115921274

IUPACN-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
SMILESCCCCC(COC)Nc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-10(9-15-3)13-11-7-8-12-14(11)2/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyWSWADROOHNDROE-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.04
Rot. Bonds7

About N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine

N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine (PubChem CID 115921274) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
PubChem CID115921274
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
SMILESCCCCC(COC)Nc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-4-5-6-10(9-15-3)13-11-7-8-12-14(11)2/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyWSWADROOHNDROE-UHFFFAOYSA-N
XLogP2.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
CID 71918463
N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 40199339
1-(3-methylbutyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
CID 75483545
1-(2-methoxyethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]pyrazol-3-amine
CID 97338427
2-butyl-N-[(3S)-oxan-3-yl]pyrazol-3-amine
CID 97801493
1-(2,2-difluoroethyl)-N-(1-methoxypropan-2-yl)pyrazol-3-amine
CID 115674825
1-(2,2-difluoroethyl)-N-(4-methoxybutan-2-yl)pyrazol-3-amine
CID 115688422
1-(2,2-difluoroethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
CID 115921008
1-(2,2-difluoroethyl)-N-(2-methyloxolan-3-yl)pyrazol-3-amine
CID 115921012
1-(2,2-difluoroethyl)-N-(3-methoxybutan-2-yl)pyrazol-3-amine
CID 115921017
1-(2,2-difluoroethyl)-N-(1-methoxybutan-2-yl)pyrazol-3-amine
CID 115921020
1-(2,2-difluoroethyl)-N-(oxan-3-yl)pyrazol-3-amine
CID 115921021

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine?
The IUPAC name of N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine (CID 115921274) is N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine?
The canonical SMILES for N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine is CCCCC(COC)Nc1ccnn1C.
What is the InChIKey of N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine?
The InChIKey is WSWADROOHNDROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-10(9-15-3)13-11-7-8-12-14(11)2/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine?
N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine has a molecular weight of 211.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine is sourced from PubChem (CID 115921274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).