1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

C14H15F3N4O — CID 19326759

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1c(CNC(=O)Nc2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C14H15F3N4O/c1-9-10(8-19-21(9)2)7-18-13(22)20-12-5-3-4-11(6-12)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,20,22)
InChIKeyNVACCJSVWYXMBM-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.07
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 19326759) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID19326759
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1c(CNC(=O)Nc2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C14H15F3N4O/c1-9-10(8-19-21(9)2)7-18-13(22)20-12-5-3-4-11(6-12)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,20,22)
InChIKeyNVACCJSVWYXMBM-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-ethylsulfanylphenyl)urea
CID 75514279
1-[4-(aminomethyl)phenyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 106049514
1-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 20928356
1-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19328827
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-methylphenyl)urea
CID 79524209
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449749
1-[(4-oxo-1H-pyridin-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166374339
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-5-carboxamide
CID 17381795
methyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-5-carboxylate
CID 19449798
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-4-pyridinyl)urea
CID 75514694

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 19326759) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1c(CNC(=O)Nc2cccc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is NVACCJSVWYXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9-10(8-19-21(9)2)7-18-13(22)20-12-5-3-4-11(6-12)14(15,16)17/h3-6,8H,7H2,1-2H3,(H2,18,20,22).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 312.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 19326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).