(1,5-dimethylpyrazol-4-yl)thiourea

C6H10N4S — CID 7176013

IUPAC(1,5-dimethylpyrazol-4-yl)thiourea
SMILESCc1c(NC(N)=S)cnn1C
InChIInChI=1S/C6H10N4S/c1-4-5(9-6(7)11)3-8-10(4)2/h3H,1-2H3,(H3,7,9,11)
InChIKeyIDPCSJVPBANTPJ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.38
Rot. Bonds1

About (1,5-dimethylpyrazol-4-yl)thiourea

(1,5-dimethylpyrazol-4-yl)thiourea (PubChem CID 7176013) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)thiourea
PubChem CID7176013
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name(1,5-dimethylpyrazol-4-yl)thiourea
SMILESCc1c(NC(N)=S)cnn1C
InChIInChI=1S/C6H10N4S/c1-4-5(9-6(7)11)3-8-10(4)2/h3H,1-2H3,(H3,7,9,11)
InChIKeyIDPCSJVPBANTPJ-UHFFFAOYSA-N
XLogP0.38
TPSA55.87 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 ≤ 50.38
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-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
CID 19343258
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methylphenyl)thiourea
CID 17264839
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933
1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326845
1-(1,5-dimethylpyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17375392
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
N-(1,5-dimethylpyrazol-4-yl)-2,4,5-trimethylbenzamide
CID 134707317
N-(1,5-dimethylpyrazol-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167932355
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)thiourea?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)thiourea (CID 7176013) is (1,5-dimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)thiourea?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)thiourea is Cc1c(NC(N)=S)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)thiourea?
The InChIKey is IDPCSJVPBANTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-4-5(9-6(7)11)3-8-10(4)2/h3H,1-2H3,(H3,7,9,11).
What are the key properties of (1,5-dimethylpyrazol-4-yl)thiourea?
(1,5-dimethylpyrazol-4-yl)thiourea has a molecular weight of 170.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 7176013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).