1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea

C14H16F2N4O — CID 72880547

IUPAC1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2cn(C(F)F)nc2C)cc1
InChIInChI=1S/C14H16F2N4O/c1-3-17-14(21)18-11-6-4-10(5-7-11)12-8-20(13(15)16)19-9(12)2/h4-8,13H,3H2,1-2H3,(H2,17,18,21)
InChIKeyJIOAZKDZOFQUDE-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.40
Rot. Bonds4

About 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea

1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea (PubChem CID 72880547) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea
PubChem CID72880547
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2cn(C(F)F)nc2C)cc1
InChIInChI=1S/C14H16F2N4O/c1-3-17-14(21)18-11-6-4-10(5-7-11)12-8-20(13(15)16)19-9(12)2/h4-8,13H,3H2,1-2H3,(H2,17,18,21)
InChIKeyJIOAZKDZOFQUDE-UHFFFAOYSA-N
XLogP3.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea?
The IUPAC name of 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea (CID 72880547) is 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2cn(C(F)F)nc2C)cc1.
What is the InChIKey of 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea?
The InChIKey is JIOAZKDZOFQUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-3-17-14(21)18-11-6-4-10(5-7-11)12-8-20(13(15)16)19-9(12)2/h4-8,13H,3H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea?
1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea has a molecular weight of 294.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-3-ethylurea is sourced from PubChem (CID 72880547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).