[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea

C19H18F2N4O2 — CID 10248683

IUPAC[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H18F2N4O2/c1-27-15-8-6-14(7-9-15)25-17(10-16(24-25)18(20)21)13-4-2-12(3-5-13)11-23-19(22)26/h2-10,18H,11H2,1H3,(H3,22,23,26)
InChIKeyFPMLBLDBMKTMDQ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.65
Rot. Bonds6

About [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea

[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea (PubChem CID 10248683) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea
PubChem CID10248683
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H18F2N4O2/c1-27-15-8-6-14(7-9-15)25-17(10-16(24-25)18(20)21)13-4-2-12(3-5-13)11-23-19(22)26/h2-10,18H,11H2,1H3,(H3,22,23,26)
InChIKeyFPMLBLDBMKTMDQ-UHFFFAOYSA-N
XLogP3.65
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea?
The IUPAC name of [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea (CID 10248683) is [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea.
What is the SMILES notation for [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea?
The canonical SMILES for [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(CNC(N)=O)cc2)cc1.
What is the InChIKey of [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea?
The InChIKey is FPMLBLDBMKTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-27-15-8-6-14(7-9-15)25-17(10-16(24-25)18(20)21)13-4-2-12(3-5-13)11-23-19(22)26/h2-10,18H,11H2,1H3,(H3,22,23,26).
What are the key properties of [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea?
[4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea has a molecular weight of 372.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]phenyl]methylurea is sourced from PubChem (CID 10248683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).