N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

C9H15N3O2S — CID 43547628

IUPACN-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H15N3O2S/c1-6-9(7(2)12-11-6)10-8-3-4-15(13,14)5-8/h8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyPCLJTARHKYKFJL-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.63
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547628) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547628
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H15N3O2S/c1-6-9(7(2)12-11-6)10-8-3-4-15(13,14)5-8/h8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyPCLJTARHKYKFJL-UHFFFAOYSA-N
XLogP0.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43644749
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237040
N-[(1,1-dioxothiolan-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54914774
N-(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547096
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235461
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
5-N-(1,1-dioxothiolan-3-yl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011811
N-(4-methylsulfonylphenyl)-1,1-dioxothiolan-3-amine
CID 24693954
N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine
CID 4059509
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 16780957
3,5-dimethyl-N-(2-methylsulfonylcyclopentyl)-1H-pyrazol-4-amine
CID 65044159
N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601230

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547628) is N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is PCLJTARHKYKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-9(7(2)12-11-6)10-8-3-4-15(13,14)5-8/h8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 229.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).