1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea

C15H18FN5O — CID 167941392

IUPAC1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc(C3CC3)c(F)c2)nn1
InChIInChI=1S/C15H18FN5O/c1-9(2)21-8-14(19-20-21)18-15(22)17-11-5-6-12(10-3-4-10)13(16)7-11/h5-10H,3-4H2,1-2H3,(H2,17,18,22)
InChIKeyCEWQJMRUJBDJBM-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea

1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea (PubChem CID 167941392) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea
PubChem CID167941392
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)Nc2ccc(C3CC3)c(F)c2)nn1
InChIInChI=1S/C15H18FN5O/c1-9(2)21-8-14(19-20-21)18-15(22)17-11-5-6-12(10-3-4-10)13(16)7-11/h5-10H,3-4H2,1-2H3,(H2,17,18,22)
InChIKeyCEWQJMRUJBDJBM-UHFFFAOYSA-N
XLogP3.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The IUPAC name of 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea (CID 167941392) is 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea.
What is the SMILES notation for 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The canonical SMILES for 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea is CC(C)n1cc(NC(=O)Nc2ccc(C3CC3)c(F)c2)nn1.
What is the InChIKey of 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
The InChIKey is CEWQJMRUJBDJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-9(2)21-8-14(19-20-21)18-15(22)17-11-5-6-12(10-3-4-10)13(16)7-11/h5-10H,3-4H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea?
1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea has a molecular weight of 303.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-fluorophenyl)-3-(1-propan-2-yltriazol-4-yl)urea is sourced from PubChem (CID 167941392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).