1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine

C13H25N5O2S — CID 102825654

IUPAC1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine
SMILESC[C@H]1CN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CCN1
InChIInChI=1S/C13H25N5O2S/c1-9-8-17(7-6-15-9)12-10(21(5,19)20)11(14)18(16-12)13(2,3)4/h9,15H,6-8,14H2,1-5H3/t9-/m0/s1
InChIKeyGOUKORFWMPWSSR-VIFPVBQESA-N
MW315.44 g/mol
LogP0.42
Rot. Bonds2

About 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine

1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825654) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine
PubChem CID102825654
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine
SMILESC[C@H]1CN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CCN1
InChIInChI=1S/C13H25N5O2S/c1-9-8-17(7-6-15-9)12-10(21(5,19)20)11(14)18(16-12)13(2,3)4/h9,15H,6-8,14H2,1-5H3/t9-/m0/s1
InChIKeyGOUKORFWMPWSSR-VIFPVBQESA-N
XLogP0.42
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-3-methylpiperazin-1-yl]-4-methylsulfonyl-1-propylpyrazol-5-amine
CID 102825945
2-[5-amino-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-1-yl]acetic acid
CID 102826319
1-tert-butyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825662
1-tert-butyl-4-methylsulfonyl-3-morpholin-4-ylpyrazol-5-amine
CID 102825657
(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine
CID 59511255
3-(4-methylpiperidin-1-yl)-4-methylsulfonyl-1-propan-2-ylpyrazol-5-amine
CID 102825870
1-methyl-3-(4-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
CID 102825511
4-(3-methylpiperazin-1-yl)benzenesulfonic acid
CID 22147067
2,4-dimethyl-6-[(3R)-3-methylpiperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 104976116
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
2-[5-amino-3-(4-methylpiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825422
N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 94450668

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine (CID 102825654) is 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine is C[C@H]1CN(c2nn(C(C)(C)C)c(N)c2S(C)(=O)=O)CCN1.
What is the InChIKey of 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine?
The InChIKey is GOUKORFWMPWSSR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-9-8-17(7-6-15-9)12-10(21(5,19)20)11(14)18(16-12)13(2,3)4/h9,15H,6-8,14H2,1-5H3/t9-/m0/s1.
What are the key properties of 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine?
1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine has a molecular weight of 315.44 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3S)-3-methylpiperazin-1-yl]-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).