1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea

C9H14N4S — CID 4767640

IUPAC1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)cc1NC(=S)NC1CC1
InChIInChI=1S/C9H14N4S/c1-6-8(5-13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyGVNXSVHRNJEUCK-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.18
Rot. Bonds2

About 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea

1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea (PubChem CID 4767640) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea
PubChem CID4767640
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea
SMILESCc1nn(C)cc1NC(=S)NC1CC1
InChIInChI=1S/C9H14N4S/c1-6-8(5-13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14)
InChIKeyGVNXSVHRNJEUCK-UHFFFAOYSA-N
XLogP1.18
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The IUPAC name of 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea (CID 4767640) is 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea is Cc1nn(C)cc1NC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea?
The InChIKey is GVNXSVHRNJEUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-6-8(5-13(2)12-6)11-9(14)10-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea?
1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea has a molecular weight of 210.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1,3-dimethylpyrazol-4-yl)thiourea is sourced from PubChem (CID 4767640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).