1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

C12H17N5OS — CID 19270518

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cn2ccc(C(=O)NCCS)n2)n1
InChIInChI=1S/C12H17N5OS/c1-9-7-10(2)17(14-9)8-16-5-3-11(15-16)12(18)13-4-6-19/h3,5,7,19H,4,6,8H2,1-2H3,(H,13,18)
InChIKeyJJBKXHBEISZPOR-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.86
Rot. Bonds5

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide (PubChem CID 19270518) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
PubChem CID19270518
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cn2ccc(C(=O)NCCS)n2)n1
InChIInChI=1S/C12H17N5OS/c1-9-7-10(2)17(14-9)8-16-5-3-11(15-16)12(18)13-4-6-19/h3,5,7,19H,4,6,8H2,1-2H3,(H,13,18)
InChIKeyJJBKXHBEISZPOR-UHFFFAOYSA-N
XLogP0.86
TPSA64.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide 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-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19270685
methyl 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]acetate
CID 19270589
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
CID 102533991
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19270619
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19278595

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide (CID 19270518) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide is Cc1cc(C)n(Cn2ccc(C(=O)NCCS)n2)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide?
The InChIKey is JJBKXHBEISZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-9-7-10(2)17(14-9)8-16-5-3-11(15-16)12(18)13-4-6-19/h3,5,7,19H,4,6,8H2,1-2H3,(H,13,18).
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).