5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide

C13H21N5S — CID 63757069

IUPAC5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(NC2CCN(C3CC3)C2)c1C(N)=S
InChIInChI=1S/C13H21N5S/c1-8-11(12(14)19)13(17(2)16-8)15-9-5-6-18(7-9)10-3-4-10/h9-10,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyJROLEJUNBHIUDF-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.01
Rot. Bonds4

About 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide

5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide (PubChem CID 63757069) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide
PubChem CID63757069
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide
SMILESCc1nn(C)c(NC2CCN(C3CC3)C2)c1C(N)=S
InChIInChI=1S/C13H21N5S/c1-8-11(12(14)19)13(17(2)16-8)15-9-5-6-18(7-9)10-3-4-10/h9-10,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyJROLEJUNBHIUDF-UHFFFAOYSA-N
XLogP1.01
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758420
1,3-dimethyl-5-(oxolan-3-ylamino)pyrazole-4-carbothioamide
CID 80713370
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756883
1,3-dimethyl-5-[(3-methylcyclohexyl)amino]pyrazole-4-carbothioamide
CID 63756865
5-[(2,3-dimethylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 64908065
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
5-(2-cyclobutylethylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 113478897
5-(butan-2-ylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756143
5-[(1,1-dioxothiolan-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63758439
N-(1-cyclopropylpyrrolidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66026956
1,3-dimethyl-5-(thiolan-2-ylmethylamino)pyrazole-4-carbothioamide
CID 80585623
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63756692

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide?
The IUPAC name of 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide (CID 63757069) is 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide.
What is the SMILES notation for 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide?
The canonical SMILES for 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide is Cc1nn(C)c(NC2CCN(C3CC3)C2)c1C(N)=S.
What is the InChIKey of 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide?
The InChIKey is JROLEJUNBHIUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-8-11(12(14)19)13(17(2)16-8)15-9-5-6-18(7-9)10-3-4-10/h9-10,15H,3-7H2,1-2H3,(H2,14,19).
What are the key properties of 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide?
5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide is sourced from PubChem (CID 63757069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).