1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea

C7H11FN4S — CID 89416528

IUPAC1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1[nH]ncc1F
InChIInChI=1S/C7H11FN4S/c1-2-3-9-7(13)11-6-5(8)4-10-12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyGFVMGYQMAYOBSL-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.25
Rot. Bonds3

About 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea

1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea (PubChem CID 89416528) has the molecular formula C7H11FN4S and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea.

Molecular Properties

Compound Name1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea
PubChem CID89416528
Molecular FormulaC7H11FN4S
Molecular Weight202.26 g/mol
Exact Mass202.07
IUPAC Name1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea
SMILESCCCNC(=S)Nc1[nH]ncc1F
InChIInChI=1S/C7H11FN4S/c1-2-3-9-7(13)11-6-5(8)4-10-12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
InChIKeyGFVMGYQMAYOBSL-UHFFFAOYSA-N
XLogP1.25
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea?
The IUPAC name of 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea (CID 89416528) is 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea.
What is the SMILES notation for 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea?
The canonical SMILES for 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea is CCCNC(=S)Nc1[nH]ncc1F.
What is the InChIKey of 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea?
The InChIKey is GFVMGYQMAYOBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4S/c1-2-3-9-7(13)11-6-5(8)4-10-12-6/h4H,2-3H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea?
1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea has a molecular weight of 202.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-pyrazol-5-yl)-3-propylthiourea is sourced from PubChem (CID 89416528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).