1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea

C14H13FN6O — CID 166293798

IUPAC1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea
SMILESCn1nc(NC(=O)Nc2cn[nH]c2)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN6O/c1-21-12(9-2-4-10(15)5-3-9)6-13(20-21)19-14(22)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H2,18,19,20,22)
InChIKeyZDCWZGNXGCYELT-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.59
Rot. Bonds3

About 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea

1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 166293798) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea
PubChem CID166293798
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea
SMILESCn1nc(NC(=O)Nc2cn[nH]c2)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN6O/c1-21-12(9-2-4-10(15)5-3-9)6-13(20-21)19-14(22)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H2,18,19,20,22)
InChIKeyZDCWZGNXGCYELT-UHFFFAOYSA-N
XLogP2.59
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94120662
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
(2S)-N-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxamide
CID 146102042
1-(5-isoquinolin-7-yl-1-methylpyrazol-3-yl)-3-[4-(methylaminosulfanyl)phenyl]urea;molecular oxygen
CID 159766319
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
2-(4-fluorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)acetamide
CID 43429344
2-methoxy-4-(1H-pyrazol-4-ylcarbamoylamino)benzoic acid
CID 107209397

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea (CID 166293798) is 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea is Cn1nc(NC(=O)Nc2cn[nH]c2)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is ZDCWZGNXGCYELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-21-12(9-2-4-10(15)5-3-9)6-13(20-21)19-14(22)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H2,18,19,20,22).
What are the key properties of 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea?
1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 300.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166293798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).