1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea

C10H15F3N4O — CID 119073298

IUPAC1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(F)(F)F)C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C10H15F3N4O/c1-2-17(7-10(11,12)13)9(18)14-4-3-8-5-15-16-6-8/h5-6H,2-4,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyHHNOQRKTBLIPRM-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.55
Rot. Bonds5

About 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea

1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea (PubChem CID 119073298) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
PubChem CID119073298
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(F)(F)F)C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C10H15F3N4O/c1-2-17(7-10(11,12)13)9(18)14-4-3-8-5-15-16-6-8/h5-6H,2-4,7H2,1H3,(H,14,18)(H,15,16)
InChIKeyHHNOQRKTBLIPRM-UHFFFAOYSA-N
XLogP1.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-[(1S)-1-(1H-pyrazol-4-yl)ethyl]urea
CID 97098545
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252490
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252684
1-[1-(1H-pyrazol-4-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103853166
2,2,2-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855822
2,2,3,3-tetrafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856370
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856620
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104004534
1-(1H-pyrazol-4-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 104821792
2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106216846
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)propanamide
CID 106217629

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea (CID 119073298) is 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea is CCN(CC(F)(F)F)C(=O)NCCc1cn[nH]c1.
What is the InChIKey of 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is HHNOQRKTBLIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-17(7-10(11,12)13)9(18)14-4-3-8-5-15-16-6-8/h5-6H,2-4,7H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 264.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 119073298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).