1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine

C13H19N5O2S — CID 136984252

IUPAC1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine
SMILESCC(C)c1c(-c2cn[nH]c2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C13H19N5O2S/c1-8(2)11-12(9-5-15-16-6-9)17-18(13(11)14)10-3-4-21(19,20)7-10/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyZDNLLNBPMRYSAO-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.34
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine

1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine (PubChem CID 136984252) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine
PubChem CID136984252
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine
SMILESCC(C)c1c(-c2cn[nH]c2)nn(C2CCS(=O)(=O)C2)c1N
InChIInChI=1S/C13H19N5O2S/c1-8(2)11-12(9-5-15-16-6-9)17-18(13(11)14)10-3-4-21(19,20)7-10/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyZDNLLNBPMRYSAO-UHFFFAOYSA-N
XLogP1.34
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,2-dimethylcyclopropyl)-1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylpyrazol-5-amine
CID 107001776
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43336820
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(2-methylphenyl)pyrazol-5-amine
CID 43336845
5-amino-1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazole-4-carbonitrile
CID 79165359
1-(1,1-dioxothiolan-3-yl)-4-methyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519673
5-cyclopropyl-2-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-3-amine
CID 43159036
2-(1,1-dioxothiolan-3-yl)-4-ethyl-5-(2-methylpropyl)pyrazol-3-amine
CID 43670933
3-[3-methyl-5-[3-(1H-pyrazol-4-yl)propyl]-1,2,4-triazol-1-yl]thiolane 1,1-dioxide
CID 72904081
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-(3-bromothiophen-2-yl)-1-(1,1-dioxothiolan-3-yl)-4-methylpyrazol-5-amine
CID 63797071
3-(1-cyclopropylethyl)-1-(1,1-dioxothiolan-3-yl)-4-ethylpyrazol-5-amine
CID 83154715
1-(1,1-dioxothiolan-3-yl)-4-ethyl-3-(1-methylsulfonylethyl)pyrazol-5-amine
CID 104519686

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine (CID 136984252) is 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine is CC(C)c1c(-c2cn[nH]c2)nn(C2CCS(=O)(=O)C2)c1N.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine?
The InChIKey is ZDNLLNBPMRYSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8(2)11-12(9-5-15-16-6-9)17-18(13(11)14)10-3-4-21(19,20)7-10/h5-6,8,10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine has a molecular weight of 309.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-4-propan-2-yl-3-(1H-pyrazol-4-yl)pyrazol-5-amine is sourced from PubChem (CID 136984252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).