N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine

C10H19N3O — CID 115923272

IUPACN-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine
SMILESCOC(C)C(C)Nc1cnn(C)c1C
InChIInChI=1S/C10H19N3O/c1-7(9(3)14-5)12-10-6-11-13(4)8(10)2/h6-7,9,12H,1-5H3
InChIKeyPSCCHMODEHVGMJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.56
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine

N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine (PubChem CID 115923272) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine
PubChem CID115923272
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine
SMILESCOC(C)C(C)Nc1cnn(C)c1C
InChIInChI=1S/C10H19N3O/c1-7(9(3)14-5)12-10-6-11-13(4)8(10)2/h6-7,9,12H,1-5H3
InChIKeyPSCCHMODEHVGMJ-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
N-heptan-2-yl-1,5-dimethylpyrazol-4-amine
CID 115923292
1,5-dimethyl-N-(1-phenylethyl)pyrazol-4-amine
CID 115923286
1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
CID 115923213
(1,5-dimethylpyrazol-4-yl)thiourea
CID 7176013
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
2-bromo-N-(3-methoxybutan-2-yl)aniline
CID 115928171
N-[(3,5-dimethoxyphenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 19625831
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine (CID 115923272) is N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine is COC(C)C(C)Nc1cnn(C)c1C.
What is the InChIKey of N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine?
The InChIKey is PSCCHMODEHVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(9(3)14-5)12-10-6-11-13(4)8(10)2/h6-7,9,12H,1-5H3.
What are the key properties of N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine?
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine has a molecular weight of 197.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115923272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).