1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea

C14H15FN4O — CID 165120008

IUPAC1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2cccn2)cc1F)NC1CC1
InChIInChI=1S/C14H15FN4O/c15-13-8-12(19-7-1-6-17-19)5-2-10(13)9-16-14(20)18-11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H2,16,18,20)
InChIKeyRVGOLOVRGSANKD-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.97
Rot. Bonds4

About 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea

1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 165120008) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea
PubChem CID165120008
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccc(-n2cccn2)cc1F)NC1CC1
InChIInChI=1S/C14H15FN4O/c15-13-8-12(19-7-1-6-17-19)5-2-10(13)9-16-14(20)18-11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H2,16,18,20)
InChIKeyRVGOLOVRGSANKD-UHFFFAOYSA-N
XLogP1.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea (CID 165120008) is 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1ccc(-n2cccn2)cc1F)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is RVGOLOVRGSANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-13-8-12(19-7-1-6-17-19)5-2-10(13)9-16-14(20)18-11-3-4-11/h1-2,5-8,11H,3-4,9H2,(H2,16,18,20).
What are the key properties of 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea?
1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 274.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 165120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).