1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

C13H24N4O3S — CID 102826141

IUPAC1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3
InChIKeyCGYIZIMAYUCBJS-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.75
Rot. Bonds5

About 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine

1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (PubChem CID 102826141) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
PubChem CID102826141
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
SMILESCC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3
InChIKeyCGYIZIMAYUCBJS-UHFFFAOYSA-N
XLogP0.75
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102825657
1-butyl-4-methylsulfonyl-3-piperidin-1-ylpyrazol-5-amine
CID 102826038
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
1-methyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825511
3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
CID 102825870
1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825662
2-[5-amino-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826319
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825419
5-methyl-4,6-dimorpholin-4-ylpyrimidin-2-amine;dihydrochloride
CID 121396239
1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826350

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The IUPAC name of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine (CID 102826141) is 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine.
What is the SMILES notation for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The canonical SMILES for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is CC(C)CCn1nc(N2CCOCC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
The InChIKey is CGYIZIMAYUCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-10(2)4-5-17-12(14)11(21(3,18)19)13(15-17)16-6-8-20-9-7-16/h10H,4-9,14H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine?
1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine has a molecular weight of 316.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine is sourced from PubChem (CID 102826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).