1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea

C16H19F3N4O — CID 56787636

IUPAC1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCN(CCn1cccn1)C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-22(11-12-23-10-4-8-21-23)15(24)20-9-7-13-5-2-3-6-14(13)16(17,18)19/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,24)
InChIKeyVCVHBCBIGOCBNZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.79
Rot. Bonds6

About 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea

1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 56787636) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID56787636
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCN(CCn1cccn1)C(=O)NCCc1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-22(11-12-23-10-4-8-21-23)15(24)20-9-7-13-5-2-3-6-14(13)16(17,18)19/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,24)
InChIKeyVCVHBCBIGOCBNZ-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55578637
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
N-(3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 112688168
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(2-pyrazol-1-ylethyl)urea
CID 95622064
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 74247171
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
3-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea
CID 139011038

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 56787636) is 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is CN(CCn1cccn1)C(=O)NCCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is VCVHBCBIGOCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22(11-12-23-10-4-8-21-23)15(24)20-9-7-13-5-2-3-6-14(13)16(17,18)19/h2-6,8,10H,7,9,11-12H2,1H3,(H,20,24).
What are the key properties of 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 340.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-pyrazol-1-ylethyl)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 56787636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).