1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

C15H18F3N5O — CID 75434254

IUPAC1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C15H18F3N5O/c1-8-13(9(2)22-21-8)20-14(24)19-11-7-10(15(16,17)18)5-6-12(11)23(3)4/h5-7H,1-4H3,(H,21,22)(H2,19,20,24)
InChIKeyLAJMXXJXTKHGII-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.76
Rot. Bonds3

About 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea

1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (PubChem CID 75434254) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
PubChem CID75434254
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
SMILESCc1n[nH]c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C15H18F3N5O/c1-8-13(9(2)22-21-8)20-14(24)19-11-7-10(15(16,17)18)5-6-12(11)23(3)4/h5-7H,1-4H3,(H,21,22)(H2,19,20,24)
InChIKeyLAJMXXJXTKHGII-UHFFFAOYSA-N
XLogP3.76
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336804
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 55924095
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 75434351
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015166
5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 112766862

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea (CID 75434254) is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is Cc1n[nH]c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
The InChIKey is LAJMXXJXTKHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-8-13(9(2)22-21-8)20-14(24)19-11-7-10(15(16,17)18)5-6-12(11)23(3)4/h5-7H,1-4H3,(H,21,22)(H2,19,20,24).
What are the key properties of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea?
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea has a molecular weight of 341.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 75434254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).