1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

C14H16F2N4O — CID 2956297

IUPAC1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c(C(C)NC(=O)Nc2ccc(F)cc2F)cnn1C
InChIInChI=1S/C14H16F2N4O/c1-8(11-7-17-20(3)9(11)2)18-14(21)19-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,18,19,21)
InChIKeyDEWZVPZJPNOHNJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.89
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 2956297) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID2956297
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c(C(C)NC(=O)Nc2ccc(F)cc2F)cnn1C
InChIInChI=1S/C14H16F2N4O/c1-8(11-7-17-20(3)9(11)2)18-14(21)19-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,18,19,21)
InChIKeyDEWZVPZJPNOHNJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(1-phenyl-5-propylpyrazol-4-yl)urea
CID 2807997
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
N-(4-chlorophenyl)-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193476
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (CID 2956297) is 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is Cc1c(C(C)NC(=O)Nc2ccc(F)cc2F)cnn1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is DEWZVPZJPNOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8(11-7-17-20(3)9(11)2)18-14(21)19-13-5-4-10(15)6-12(13)16/h4-8H,1-3H3,(H2,18,19,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 294.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 2956297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).