1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea

C25H20ClF3N4O — CID 162617787

IUPAC1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H20ClF3N4O/c1-17-22(23(26)33(31-17)21-10-6-3-7-11-21)16-32(24(34)30-19-8-4-2-5-9-19)20-14-12-18(13-15-20)25(27,28)29/h2-15H,16H2,1H3,(H,30,34)
InChIKeyFKAXUTGDWVPXDB-UHFFFAOYSA-N
MW484.91 g/mol
LogP7.09
Rot. Bonds5

About 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea (PubChem CID 162617787) has the molecular formula C25H20ClF3N4O and a molecular weight of 484.91 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea
PubChem CID162617787
Molecular FormulaC25H20ClF3N4O
Molecular Weight484.91 g/mol
Exact Mass484.13
IUPAC Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H20ClF3N4O/c1-17-22(23(26)33(31-17)21-10-6-3-7-11-21)16-32(24(34)30-19-8-4-2-5-9-19)20-14-12-18(13-15-20)25(27,28)29/h2-15H,16H2,1H3,(H,30,34)
InChIKeyFKAXUTGDWVPXDB-UHFFFAOYSA-N
XLogP7.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.91
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
CID 1124684
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 78889726
5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
5-chloro-3-methyl-1-phenyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 24682886
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543
1-ethyl-1-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 59011783
1-(5-methyl-2-phenylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56844199
1-(anthracen-9-ylmethyl)-1-(4-methylphenyl)-3-phenylurea
CID 42657103
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
(E)-3-[5-chloro-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-cyano-N-phenylprop-2-enamide
CID 166403522

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea (CID 162617787) is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea is Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is FKAXUTGDWVPXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O/c1-17-22(23(26)33(31-17)21-10-6-3-7-11-21)16-32(24(34)30-19-8-4-2-5-9-19)20-14-12-18(13-15-20)25(27,28)29/h2-15H,16H2,1H3,(H,30,34).
What are the key properties of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea?
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 484.91 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162617787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).