1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea

C11H17F3N4O — CID 126440506

IUPAC1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(F)(F)F)C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C11H17F3N4O/c1-4-18(7-11(12,13)14)10(19)16-8(2)9-5-15-17(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeyCYLKRLZBQHJUGV-QMMMGPOBSA-N
MW278.28 g/mol
LogP2.07
Rot. Bonds4

About 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea

1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea (PubChem CID 126440506) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
PubChem CID126440506
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC(F)(F)F)C(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C11H17F3N4O/c1-4-18(7-11(12,13)14)10(19)16-8(2)9-5-15-17(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1
InChIKeyCYLKRLZBQHJUGV-QMMMGPOBSA-N
XLogP2.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 114189000
2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115290162
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
N-[1-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 71868113
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289055
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
1-ethyl-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125444856
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119322411
1-(2-hydroxy-2-propylpentyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507020
4,4,4-trifluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 81343645
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97224567
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea (CID 126440506) is 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea is CCN(CC(F)(F)F)C(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is CYLKRLZBQHJUGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-4-18(7-11(12,13)14)10(19)16-8(2)9-5-15-17(3)6-9/h5-6,8H,4,7H2,1-3H3,(H,16,19)/t8-/m0/s1.
What are the key properties of 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea?
1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 278.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 126440506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).