1-(1-methylpyrazol-4-yl)ethylthiourea

C7H12N4S — CID 130520619

IUPAC1-(1-methylpyrazol-4-yl)ethylthiourea
SMILESCC(NC(N)=S)c1cnn(C)c1
InChIInChI=1S/C7H12N4S/c1-5(10-7(8)12)6-3-9-11(2)4-6/h3-5H,1-2H3,(H3,8,10,12)
InChIKeyNNPOSHZBZNVGCX-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.31
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)ethylthiourea

1-(1-methylpyrazol-4-yl)ethylthiourea (PubChem CID 130520619) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)ethylthiourea.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)ethylthiourea
PubChem CID130520619
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name1-(1-methylpyrazol-4-yl)ethylthiourea
SMILESCC(NC(N)=S)c1cnn(C)c1
InChIInChI=1S/C7H12N4S/c1-5(10-7(8)12)6-3-9-11(2)4-6/h3-5H,1-2H3,(H3,8,10,12)
InChIKeyNNPOSHZBZNVGCX-UHFFFAOYSA-N
XLogP0.31
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.31
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-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
1-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119322404
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382
N-[1-(1-methylpyrazol-4-yl)ethyl]formamide
CID 130520642
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)ethylthiourea?
The IUPAC name of 1-(1-methylpyrazol-4-yl)ethylthiourea (CID 130520619) is 1-(1-methylpyrazol-4-yl)ethylthiourea.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)ethylthiourea?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)ethylthiourea is CC(NC(N)=S)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)ethylthiourea?
The InChIKey is NNPOSHZBZNVGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5(10-7(8)12)6-3-9-11(2)4-6/h3-5H,1-2H3,(H3,8,10,12).
What are the key properties of 1-(1-methylpyrazol-4-yl)ethylthiourea?
1-(1-methylpyrazol-4-yl)ethylthiourea has a molecular weight of 184.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)ethylthiourea is sourced from PubChem (CID 130520619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).