4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine

C11H20N4O2S — CID 43648956

IUPAC4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCS(=O)(=O)C2)c1CN
InChIInChI=1S/C11H20N4O2S/c1-8-10(6-12)11(15(3)13-8)14(2)9-4-5-18(16,17)7-9/h9H,4-7,12H2,1-3H3
InChIKeyPRRAGOZZVXZRLN-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.19
Rot. Bonds3

About 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine

4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine (PubChem CID 43648956) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine
PubChem CID43648956
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCS(=O)(=O)C2)c1CN
InChIInChI=1S/C11H20N4O2S/c1-8-10(6-12)11(15(3)13-8)14(2)9-4-5-18(16,17)7-9/h9H,4-7,12H2,1-3H3
InChIKeyPRRAGOZZVXZRLN-UHFFFAOYSA-N
XLogP-0.19
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 51104856
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-ethylmethanesulfonamide
CID 53539231
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 53542538
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 53544938
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850
N-[3-[[5-(dimethylamino)-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 56822597
N,N,3-trimethyl-1-(2-methylpropyl)-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 72045679

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine (CID 43648956) is 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)C2CCS(=O)(=O)C2)c1CN.
What is the InChIKey of 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is PRRAGOZZVXZRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-10(6-12)11(15(3)13-8)14(2)9-4-5-18(16,17)7-9/h9H,4-7,12H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine?
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 272.37 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 43648956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).