1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea

C12H10FN5O — CID 79503956

IUPAC1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
SMILESCn1ncc(C#N)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN5O/c1-18-11(8(6-14)7-15-18)17-12(19)16-10-4-2-3-9(13)5-10/h2-5,7H,1H3,(H2,16,17,19)
InChIKeyQONIBHVHDCIETC-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.07
Rot. Bonds2

About 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea

1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea (PubChem CID 79503956) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
PubChem CID79503956
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
SMILESCn1ncc(C#N)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H10FN5O/c1-18-11(8(6-14)7-15-18)17-12(19)16-10-4-2-3-9(13)5-10/h2-5,7H,1H3,(H2,16,17,19)
InChIKeyQONIBHVHDCIETC-UHFFFAOYSA-N
XLogP2.07
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)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

1-(3-acetylphenyl)-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79497152
1-tert-butyl-3-(4-cyano-1-methylpyrazol-5-yl)urea
CID 79504321
N-(4-cyano-1-methylpyrazol-5-yl)-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 97257664
2-chloro-N-(4-cyano-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 81453960
1-[3-(4-cyano-1-methylpyrazol-5-yl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 10172387
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
phenyl N-(4-cyano-1-methylpyrazol-5-yl)carbamate
CID 79503955
1-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-phenylurea
CID 17067816
2,2,2-trichloro-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 108737045

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea (CID 79503956) is 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea is Cn1ncc(C#N)c1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
The InChIKey is QONIBHVHDCIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-18-11(8(6-14)7-15-18)17-12(19)16-10-4-2-3-9(13)5-10/h2-5,7H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea?
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea has a molecular weight of 259.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 79503956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).