1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide

C14H23N5OS — CID 63757257

IUPAC1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1C(N)=S
InChIInChI=1S/C14H23N5OS/c1-10-12(13(15)21)14(17(2)16-10)19-4-3-11(9-19)18-5-7-20-8-6-18/h11H,3-9H2,1-2H3,(H2,15,21)
InChIKeyKLPZSYJWMKVQAS-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.27
Rot. Bonds3

About 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide

1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide (PubChem CID 63757257) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
PubChem CID63757257
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide
SMILESCc1nn(C)c(N2CCC(N3CCOCC3)C2)c1C(N)=S
InChIInChI=1S/C14H23N5OS/c1-10-12(13(15)21)14(17(2)16-10)19-4-3-11(9-19)18-5-7-20-8-6-18/h11H,3-9H2,1-2H3,(H2,15,21)
InChIKeyKLPZSYJWMKVQAS-UHFFFAOYSA-N
XLogP0.27
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide 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

1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazole-4-carbothioamide
CID 63756692
[1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazol-4-yl]methanamine
CID 63171037
1,3-dimethyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazole-4-carboxylic acid
CID 63170699
5-(3-hydroxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63756175
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 64598322
5-[4-(dimethylamino)piperidin-1-yl]-1,3-dimethylpyrazole-4-carbothioamide
CID 63757044
5-(4-methoxypiperidin-1-yl)-1,3-dimethylpyrazole-4-carbothioamide
CID 63757042
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
1-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)-3-propylpyrazol-4-amine
CID 66018117
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752216
1-(4-carbamothioyl-1,3-dimethylpyrazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103195947

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide?
The IUPAC name of 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide (CID 63757257) is 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide.
What is the SMILES notation for 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide?
The canonical SMILES for 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide is Cc1nn(C)c(N2CCC(N3CCOCC3)C2)c1C(N)=S.
What is the InChIKey of 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide?
The InChIKey is KLPZSYJWMKVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10-12(13(15)21)14(17(2)16-10)19-4-3-11(9-19)18-5-7-20-8-6-18/h11H,3-9H2,1-2H3,(H2,15,21).
What are the key properties of 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide?
1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide has a molecular weight of 309.44 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pyrazole-4-carbothioamide is sourced from PubChem (CID 63757257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).