1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea

C16H19F3N4O2 — CID 167756112

IUPAC1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCc1cn[nH]c1CNC(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O2/c1-2-10-7-21-23-13(10)8-20-15(25)22-14(9-24)11-5-3-4-6-12(11)16(17,18)19/h3-7,14,24H,2,8-9H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyYCCQERMFSKDABH-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.52
Rot. Bonds6

About 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea

1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 167756112) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID167756112
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCc1cn[nH]c1CNC(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O2/c1-2-10-7-21-23-13(10)8-20-15(25)22-14(9-24)11-5-3-4-6-12(11)16(17,18)19/h3-7,14,24H,2,8-9H2,1H3,(H,21,23)(H2,20,22,25)
InChIKeyYCCQERMFSKDABH-UHFFFAOYSA-N
XLogP2.52
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
CID 138024701
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 138052493
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
(3S)-3-[(2,2,2-trifluoroacetyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 167716256
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
N-ethyl-2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115821262
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
CID 138051733

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 167756112) is 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea is CCc1cn[nH]c1CNC(=O)NC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is YCCQERMFSKDABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-2-10-7-21-23-13(10)8-20-15(25)22-14(9-24)11-5-3-4-6-12(11)16(17,18)19/h3-7,14,24H,2,8-9H2,1H3,(H,21,23)(H2,20,22,25).
What are the key properties of 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 356.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 167756112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).