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

C15H16ClF3N4O — CID 19456269

IUPAC1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCn1cc(Cl)c(CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16ClF3N4O/c1-3-23-8-12(16)13(21-23)9-22(2)14(24)20-11-6-4-5-10(7-11)15(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24)
InChIKeyOMWDHQKAKZOZNB-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.24
Rot. Bonds4

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

1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 19456269) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID19456269
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCn1cc(Cl)c(CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16ClF3N4O/c1-3-23-8-12(16)13(21-23)9-22(2)14(24)20-11-6-4-5-10(7-11)15(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24)
InChIKeyOMWDHQKAKZOZNB-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-1,2,4-triazol-3-yl)-1-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 46986444
3-butyl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456266
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19450079
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
1-methoxy-1-methyl-3-[3-(trifluoromethyl)phenyl]urea
CID 13424059
4-chloro-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263426
1-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19407497
3-[[3-(1,1-difluoroethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122090864
1-[(2S)-butan-2-yl]-1-[4-[[(2S)-butan-2-yl]-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98133141
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea (CID 19456269) is 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is CCn1cc(Cl)c(CN(C)C(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is OMWDHQKAKZOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-3-23-8-12(16)13(21-23)9-22(2)14(24)20-11-6-4-5-10(7-11)15(17,18)19/h4-8H,3,9H2,1-2H3,(H,20,24).
What are the key properties of 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea?
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 360.77 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 19456269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).