1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea

C18H14FN5O — CID 78894433

IUPAC1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESN#Cc1cc(F)ccc1NC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14FN5O/c19-15-6-7-17(14(8-15)9-20)23-18(25)21-10-13-11-22-24(12-13)16-4-2-1-3-5-16/h1-8,11-12H,10H2,(H2,21,23,25)
InChIKeyCZWDJAPDYCGGSO-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 78894433) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID78894433
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESN#Cc1cc(F)ccc1NC(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14FN5O/c19-15-6-7-17(14(8-15)9-20)23-18(25)21-10-13-11-22-24(12-13)16-4-2-1-3-5-16/h1-8,11-12H,10H2,(H2,21,23,25)
InChIKeyCZWDJAPDYCGGSO-UHFFFAOYSA-N
XLogP3.20
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-4-fluorophenyl)-1-phenylpyrazole-4-sulfonamide
CID 75522425
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
5-nitro-2-[(1-phenylpyrazol-4-yl)methylamino]benzonitrile
CID 30038346
1-(2-cyano-4-fluorophenyl)-3-[[4-(diethylaminomethyl)phenyl]methyl]urea
CID 78839329
1-(2-cyano-4-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 78894585
N-(2-cyanophenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17441369
N-[4-[(1-phenylpyrazol-4-yl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55698756
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
N-[(4-cyanophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134035531
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 78894433) is 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea is N#Cc1cc(F)ccc1NC(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is CZWDJAPDYCGGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-15-6-7-17(14(8-15)9-20)23-18(25)21-10-13-11-22-24(12-13)16-4-2-1-3-5-16/h1-8,11-12H,10H2,(H2,21,23,25).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 335.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 78894433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).