1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C18H16F2N4O — CID 51290797

IUPAC1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N4O/c19-16-7-6-15(10-17(16)20)23-18(25)21-11-13-4-1-2-5-14(13)12-24-9-3-8-22-24/h1-10H,11-12H2,(H2,21,23,25)
InChIKeyNCIPMFVKWNPITL-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.53
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 51290797) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID51290797
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H16F2N4O/c19-16-7-6-15(10-17(16)20)23-18(25)21-11-13-4-1-2-5-14(13)12-24-9-3-8-22-24/h1-10H,11-12H2,(H2,21,23,25)
InChIKeyNCIPMFVKWNPITL-UHFFFAOYSA-N
XLogP3.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
1-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 75400072
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-(6-methoxy-3-pyridinyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51324812
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
CID 55836456
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]urea
CID 166209972
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-(3,4-difluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773204
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 51290797) is 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is NCIPMFVKWNPITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c19-16-7-6-15(10-17(16)20)23-18(25)21-11-13-4-1-2-5-14(13)12-24-9-3-8-22-24/h1-10H,11-12H2,(H2,21,23,25).
What are the key properties of 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 342.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 51290797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).