[4-(4-methylpyrazol-1-yl)phenyl]thiourea

C11H12N4S — CID 169358177

IUPAC[4-(4-methylpyrazol-1-yl)phenyl]thiourea
SMILESCc1cnn(-c2ccc(NC(N)=S)cc2)c1
InChIInChI=1S/C11H12N4S/c1-8-6-13-15(7-8)10-4-2-9(3-5-10)14-11(12)16/h2-7H,1H3,(H3,12,14,16)
InChIKeyIGRRTLMGVRIEDL-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.84
Rot. Bonds2

About [4-(4-methylpyrazol-1-yl)phenyl]thiourea

[4-(4-methylpyrazol-1-yl)phenyl]thiourea (PubChem CID 169358177) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is [4-(4-methylpyrazol-1-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(4-methylpyrazol-1-yl)phenyl]thiourea
PubChem CID169358177
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name[4-(4-methylpyrazol-1-yl)phenyl]thiourea
SMILESCc1cnn(-c2ccc(NC(N)=S)cc2)c1
InChIInChI=1S/C11H12N4S/c1-8-6-13-15(7-8)10-4-2-9(3-5-10)14-11(12)16/h2-7H,1H3,(H3,12,14,16)
InChIKeyIGRRTLMGVRIEDL-UHFFFAOYSA-N
XLogP1.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.84
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

N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 55962959
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
[4-(1-methylpyrazol-4-yl)phenyl]thiourea
CID 169356710
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
4-(4-methylpyrazol-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55774228
4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
CID 137250300
2-amino-4-(4-methylpyrazol-1-yl)phenol
CID 84662036
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
ethyl 1-(4-acetamidophenyl)pyrazole-4-carboxylate
CID 155434676
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]thiourea?
The IUPAC name of [4-(4-methylpyrazol-1-yl)phenyl]thiourea (CID 169358177) is [4-(4-methylpyrazol-1-yl)phenyl]thiourea.
What is the SMILES notation for [4-(4-methylpyrazol-1-yl)phenyl]thiourea?
The canonical SMILES for [4-(4-methylpyrazol-1-yl)phenyl]thiourea is Cc1cnn(-c2ccc(NC(N)=S)cc2)c1.
What is the InChIKey of [4-(4-methylpyrazol-1-yl)phenyl]thiourea?
The InChIKey is IGRRTLMGVRIEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-6-13-15(7-8)10-4-2-9(3-5-10)14-11(12)16/h2-7H,1H3,(H3,12,14,16).
What are the key properties of [4-(4-methylpyrazol-1-yl)phenyl]thiourea?
[4-(4-methylpyrazol-1-yl)phenyl]thiourea has a molecular weight of 232.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrazol-1-yl)phenyl]thiourea is sourced from PubChem (CID 169358177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).