1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea

C7H11N5OS — CID 4771299

IUPAC1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccn(C)n1
InChIInChI=1S/C7H11N5OS/c1-8-7(14)10-9-6(13)5-3-4-12(2)11-5/h3-4H,1-2H3,(H,9,13)(H2,8,10,14)
InChIKeyNGSPRGMTNKZGKY-UHFFFAOYSA-N
MW213.27 g/mol
LogP-0.84
Rot. Bonds1

About 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea

1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea (PubChem CID 4771299) has the molecular formula C7H11N5OS and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
PubChem CID4771299
Molecular FormulaC7H11N5OS
Molecular Weight213.27 g/mol
Exact Mass213.07
IUPAC Name1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccn(C)n1
InChIInChI=1S/C7H11N5OS/c1-8-7(14)10-9-6(13)5-3-4-12(2)11-5/h3-4H,1-2H3,(H,9,13)(H2,8,10,14)
InChIKeyNGSPRGMTNKZGKY-UHFFFAOYSA-N
XLogP-0.84
TPSA70.98 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 ≤ 5-0.84
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-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 843740
N-butyl-2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]hydrazinecarbothioamide
CID 1767260
N-methyl-2-[(3-methyl-1H-pyrazol-1-yl)acetyl]hydrazinecarbothioamide
CID 1231820
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
1-propyl-1H-pyrazole-3-carboxamide
CID 21658321
1-ethyl-1H-pyrazole-3-carboxamide
CID 7017671
1-methyl-1H-pyrazole-5-carbohydrazide
CID 7020600
1-(difluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 7015917
N-cyclopropyl-2-{[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}hydrazinecarbothioamide
CID 4769345
2-{[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}-N-(1,3-dimethyl-1H-pyrazol-4-yl)hydrazinecarbothioamide
CID 4862658
2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 843840

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The IUPAC name of 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea (CID 4771299) is 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea is CNC(=S)NNC(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
The InChIKey is NGSPRGMTNKZGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5OS/c1-8-7(14)10-9-6(13)5-3-4-12(2)11-5/h3-4H,1-2H3,(H,9,13)(H2,8,10,14).
What are the key properties of 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea?
1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea has a molecular weight of 213.27 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrazole-3-carbonyl)amino]thiourea is sourced from PubChem (CID 4771299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).