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

C9H15N5OS — CID 22305911

IUPAC1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
SMILESCCN(NC(=O)c1cc(C)n(C)n1)C(N)=S
InChIInChI=1S/C9H15N5OS/c1-4-14(9(10)16)12-8(15)7-5-6(2)13(3)11-7/h5H,4H2,1-3H3,(H2,10,16)(H,12,15)
InChIKeyUFYLBXFWLMYXFK-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.06
Rot. Bonds2

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

1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea (PubChem CID 22305911) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
PubChem CID22305911
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
SMILESCCN(NC(=O)c1cc(C)n(C)n1)C(N)=S
InChIInChI=1S/C9H15N5OS/c1-4-14(9(10)16)12-8(15)7-5-6(2)13(3)11-7/h5H,4H2,1-3H3,(H2,10,16)(H,12,15)
InChIKeyUFYLBXFWLMYXFK-UHFFFAOYSA-N
XLogP-0.06
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea?
The IUPAC name of 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea (CID 22305911) is 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea?
The canonical SMILES for 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea is CCN(NC(=O)c1cc(C)n(C)n1)C(N)=S.
What is the InChIKey of 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea?
The InChIKey is UFYLBXFWLMYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-4-14(9(10)16)12-8(15)7-5-6(2)13(3)11-7/h5H,4H2,1-3H3,(H2,10,16)(H,12,15).
What are the key properties of 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea?
1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea has a molecular weight of 241.32 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea is sourced from PubChem (CID 22305911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).