4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide

C15H19N5OS — CID 17283410

IUPAC4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=S)Nc2ccc(C)cc2C)c(C(N)=O)n1
InChIInChI=1S/C15H19N5OS/c1-4-20-8-12(13(19-20)14(16)21)18-15(22)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22)
InChIKeyJJFMVRRGZYRGFR-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.43
Rot. Bonds4

About 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide

4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide (PubChem CID 17283410) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
PubChem CID17283410
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=S)Nc2ccc(C)cc2C)c(C(N)=O)n1
InChIInChI=1S/C15H19N5OS/c1-4-20-8-12(13(19-20)14(16)21)18-15(22)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22)
InChIKeyJJFMVRRGZYRGFR-UHFFFAOYSA-N
XLogP2.43
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-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

4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
1-(2,4-dimethylphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]thiourea
CID 19325118
1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxamide
CID 19412436
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
4-[[2-(4-chloro-3-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 4770289
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19275180
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19520691
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide (CID 17283410) is 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=S)Nc2ccc(C)cc2C)c(C(N)=O)n1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is JJFMVRRGZYRGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-20-8-12(13(19-20)14(16)21)18-15(22)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3,(H2,16,21)(H2,17,18,22).
What are the key properties of 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide?
4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)carbamothioylamino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17283410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).