1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea

C11H12N4S — CID 4557368

IUPAC1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea
SMILESCc1cc(NC(=S)Nc2ccccc2)n[nH]1
InChIInChI=1S/C11H12N4S/c1-8-7-10(15-14-8)13-11(16)12-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyYZYLYOANWPNUNK-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.53
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea

1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea (PubChem CID 4557368) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea
PubChem CID4557368
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea
SMILESCc1cc(NC(=S)Nc2ccccc2)n[nH]1
InChIInChI=1S/C11H12N4S/c1-8-7-10(15-14-8)13-11(16)12-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15,16)
InChIKeyYZYLYOANWPNUNK-UHFFFAOYSA-N
XLogP2.53
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1H-pyrazol-5-yl)-N'-1-naphthylthiourea
CID 934550
N-(3-chloro-4-methylphenyl)-N'-(3-methyl-1H-pyrazol-5-yl)thiourea
CID 935003
3,5-Dianilinopyrazole
CID 2322334
6-methyl-N-phenyl-1,2-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
CID 661794
3-(4-Fluoro-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10512886
1-phenyl-3-[(E)-1-(1H-pyrazol-5-yl)ethylideneamino]thiourea
CID 155563436
5-Methyl-3-phenylamino-1H-pyrazole-4-carbonitrile
CID 10488180
AC1Ljdm9
CID 972523
3-(4-Amino-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10703799
5-Methyl-N3-phenyl-1H-pyrazole-3,4-diamine
CID 28064358
1-benzyl-3-(5-methyl-1H-pyrazol-3-yl)thiourea
CID 4844369
5-methyl-N-phenyl-1H-pyrazol-3-amine
CID 2356879

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea (CID 4557368) is 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea is Cc1cc(NC(=S)Nc2ccccc2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea?
The InChIKey is YZYLYOANWPNUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-7-10(15-14-8)13-11(16)12-9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13,14,15,16).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea?
1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea has a molecular weight of 232.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-phenylthiourea is sourced from PubChem (CID 4557368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).