1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea

C9H15N5OS — CID 2744198

IUPAC1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea
SMILESCCn1nc(C)cc1C(=O)NNC(=S)NC
InChIInChI=1S/C9H15N5OS/c1-4-14-7(5-6(2)13-14)8(15)11-12-9(16)10-3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16)
InChIKeyVPFLTXRIIHTDLX-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.05
Rot. Bonds2

About 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea

1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea (PubChem CID 2744198) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea
PubChem CID2744198
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea
SMILESCCn1nc(C)cc1C(=O)NNC(=S)NC
InChIInChI=1S/C9H15N5OS/c1-4-14-7(5-6(2)13-14)8(15)11-12-9(16)10-3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16)
InChIKeyVPFLTXRIIHTDLX-UHFFFAOYSA-N
XLogP-0.05
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.05
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'}

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Related Compounds

2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-ethylhydrazinecarbothioamide
CID 1766536
N-butyl-2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 4230051
2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-ethylhydrazinecarbothioamide
CID 4290547
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 573245
1-Ethyl-3-methyl-1h-pyrazole-5-carbohydrazide
CID 2744172
7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 1132923
2,5-dimethyl-N-[3-(methylamino)butyl]pyrazole-3-carboxamide
CID 86813851
1-Ethyl-3-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiourea
CID 4085151
3-(aminomethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 22716003
2-(1-Fluoroethyl)-5-methylpyrazole-3-carbonyl isothiocyanate
CID 142619005

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea (CID 2744198) is 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea is CCn1nc(C)cc1C(=O)NNC(=S)NC.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea?
The InChIKey is VPFLTXRIIHTDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-4-14-7(5-6(2)13-14)8(15)11-12-9(16)10-3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16).
What are the key properties of 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea?
1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea has a molecular weight of 241.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea is sourced from PubChem (CID 2744198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).