[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea

C7H11N5OS — CID 2743334

IUPAC[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
SMILESCc1cc(C(=O)NNC(N)=S)nn1C
InChIInChI=1S/C7H11N5OS/c1-4-3-5(11-12(4)2)6(13)9-10-7(8)14/h3H,1-2H3,(H,9,13)(H3,8,10,14)
InChIKeyTWKPAMSWCJRKSJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP-0.79
Rot. Bonds1

About [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea

[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea (PubChem CID 2743334) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
PubChem CID2743334
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
SMILESCc1cc(C(=O)NNC(N)=S)nn1C
InChIInChI=1S/C7H11N5OS/c1-4-3-5(11-12(4)2)6(13)9-10-7(8)14/h3H,1-2H3,(H,9,13)(H3,8,10,14)
InChIKeyTWKPAMSWCJRKSJ-UHFFFAOYSA-N
XLogP-0.79
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The IUPAC name of [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea (CID 2743334) is [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea.
What is the SMILES notation for [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The canonical SMILES for [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea is Cc1cc(C(=O)NNC(N)=S)nn1C.
What is the InChIKey of [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
The InChIKey is TWKPAMSWCJRKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c1-4-3-5(11-12(4)2)6(13)9-10-7(8)14/h3H,1-2H3,(H,9,13)(H3,8,10,14).
What are the key properties of [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea?
[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea has a molecular weight of 213.27 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea is sourced from PubChem (CID 2743334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).