(1-ethylpyrazol-4-yl)thiourea

C6H10N4S — CID 43543607

IUPAC(1-ethylpyrazol-4-yl)thiourea
SMILESCCn1cc(NC(N)=S)cn1
InChIInChI=1S/C6H10N4S/c1-2-10-4-5(3-8-10)9-6(7)11/h3-4H,2H2,1H3,(H3,7,9,11)
InChIKeyFNWMQIZBZYHMDS-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.56
Rot. Bonds2

About (1-ethylpyrazol-4-yl)thiourea

(1-ethylpyrazol-4-yl)thiourea (PubChem CID 43543607) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)thiourea
PubChem CID43543607
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name(1-ethylpyrazol-4-yl)thiourea
SMILESCCn1cc(NC(N)=S)cn1
InChIInChI=1S/C6H10N4S/c1-2-10-4-5(3-8-10)9-6(7)11/h3-4H,2H2,1H3,(H3,7,9,11)
InChIKeyFNWMQIZBZYHMDS-UHFFFAOYSA-N
XLogP0.56
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.56
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-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
1-ethyl-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445833
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384
1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
CID 115590234
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 54901711
N,1-diethylpyrazol-4-amine
CID 43543394
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
1-butyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200322
1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19445813
1-(1-benzylpyrazol-4-yl)-3-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445863

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)thiourea?
The IUPAC name of (1-ethylpyrazol-4-yl)thiourea (CID 43543607) is (1-ethylpyrazol-4-yl)thiourea.
What is the SMILES notation for (1-ethylpyrazol-4-yl)thiourea?
The canonical SMILES for (1-ethylpyrazol-4-yl)thiourea is CCn1cc(NC(N)=S)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)thiourea?
The InChIKey is FNWMQIZBZYHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-10-4-5(3-8-10)9-6(7)11/h3-4H,2H2,1H3,(H3,7,9,11).
What are the key properties of (1-ethylpyrazol-4-yl)thiourea?
(1-ethylpyrazol-4-yl)thiourea has a molecular weight of 170.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 43543607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).