1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea

C12H15N5S — CID 10635162

IUPAC1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea
SMILESCc1cc(NC(=S)N(C)N)n(-c2ccccc2)n1
InChIInChI=1S/C12H15N5S/c1-9-8-11(14-12(18)16(2)13)17(15-9)10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyIJYGODSJQGVOBL-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.68
Rot. Bonds2

About 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea

1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea (PubChem CID 10635162) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea
PubChem CID10635162
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea
SMILESCc1cc(NC(=S)N(C)N)n(-c2ccccc2)n1
InChIInChI=1S/C12H15N5S/c1-9-8-11(14-12(18)16(2)13)17(15-9)10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,14,18)
InChIKeyIJYGODSJQGVOBL-UHFFFAOYSA-N
XLogP1.68
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-2-phenylpyrazol-3-yl)hydrazine
CID 55279869
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
ethyl 3-[(5-methyl-2-phenylpyrazol-3-yl)amino]but-2-enoate
CID 2888865
diethyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium
CID 6932117
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
1-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 80597871
1-(5-methyl-2-phenylpyrazol-3-yl)-3-thiophen-3-ylurea
CID 150914586
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146079132
1-(3,4-difluorophenyl)-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 56642816

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea?
The IUPAC name of 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea (CID 10635162) is 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea.
What is the SMILES notation for 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea?
The canonical SMILES for 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea is Cc1cc(NC(=S)N(C)N)n(-c2ccccc2)n1.
What is the InChIKey of 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea?
The InChIKey is IJYGODSJQGVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-9-8-11(14-12(18)16(2)13)17(15-9)10-6-4-3-5-7-10/h3-8H,13H2,1-2H3,(H,14,18).
What are the key properties of 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea?
1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea has a molecular weight of 261.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-methyl-3-(5-methyl-2-phenylpyrazol-3-yl)thiourea is sourced from PubChem (CID 10635162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).