1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea

C14H14F2N4O2 — CID 11522413

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14F2N4O2/c15-13(16)22-10-5-3-9(4-6-10)17-14(21)18-12-7-11(19-20-12)8-1-2-8/h3-8,13H,1-2H2,(H3,17,18,19,20,21)
InChIKeyLDXZNTTTZDZNQL-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.53
Rot. Bonds5

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea

1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea (PubChem CID 11522413) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea
PubChem CID11522413
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14F2N4O2/c15-13(16)22-10-5-3-9(4-6-10)17-14(21)18-12-7-11(19-20-12)8-1-2-8/h3-8,13H,1-2H2,(H3,17,18,19,20,21)
InChIKeyLDXZNTTTZDZNQL-UHFFFAOYSA-N
XLogP3.53
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea (CID 11522413) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)F)cc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea?
The InChIKey is LDXZNTTTZDZNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c15-13(16)22-10-5-3-9(4-6-10)17-14(21)18-12-7-11(19-20-12)8-1-2-8/h3-8,13H,1-2H2,(H3,17,18,19,20,21).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea?
1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea has a molecular weight of 308.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 11522413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).