1-methyl-3-(1-methylpyrazol-3-yl)thiourea

C6H10N4S — CID 19401616

IUPAC1-methyl-3-(1-methylpyrazol-3-yl)thiourea
SMILESCNC(=S)Nc1ccn(C)n1
InChIInChI=1S/C6H10N4S/c1-7-6(11)8-5-3-4-10(2)9-5/h3-4H,1-2H3,(H2,7,8,9,11)
InChIKeyOVISHZQCFMZJAK-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.34
Rot. Bonds1

About 1-methyl-3-(1-methylpyrazol-3-yl)thiourea

1-methyl-3-(1-methylpyrazol-3-yl)thiourea (PubChem CID 19401616) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrazol-3-yl)thiourea
PubChem CID19401616
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-methyl-3-(1-methylpyrazol-3-yl)thiourea
SMILESCNC(=S)Nc1ccn(C)n1
InChIInChI=1S/C6H10N4S/c1-7-6(11)8-5-3-4-10(2)9-5/h3-4H,1-2H3,(H2,7,8,9,11)
InChIKeyOVISHZQCFMZJAK-UHFFFAOYSA-N
XLogP0.34
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)thiourea;molecular hydrogen
CID 153376996
1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401597
1-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)thiourea
CID 19401599
methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 60810295
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19395134
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401629
1-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)thiourea
CID 19401642
4-iodo-1-methyl-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
CID 19262071
1-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401636

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrazol-3-yl)thiourea?
The IUPAC name of 1-methyl-3-(1-methylpyrazol-3-yl)thiourea (CID 19401616) is 1-methyl-3-(1-methylpyrazol-3-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(1-methylpyrazol-3-yl)thiourea?
The canonical SMILES for 1-methyl-3-(1-methylpyrazol-3-yl)thiourea is CNC(=S)Nc1ccn(C)n1.
What is the InChIKey of 1-methyl-3-(1-methylpyrazol-3-yl)thiourea?
The InChIKey is OVISHZQCFMZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-7-6(11)8-5-3-4-10(2)9-5/h3-4H,1-2H3,(H2,7,8,9,11).
What are the key properties of 1-methyl-3-(1-methylpyrazol-3-yl)thiourea?
1-methyl-3-(1-methylpyrazol-3-yl)thiourea has a molecular weight of 170.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrazol-3-yl)thiourea is sourced from PubChem (CID 19401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).