1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea

C16H20F2N4O2 — CID 167940324

IUPAC1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea
SMILESCC(C)(C)n1nccc1NC(=O)NCCc1c(F)cc(O)cc1F
InChIInChI=1S/C16H20F2N4O2/c1-16(2,3)22-14(5-7-20-22)21-15(24)19-6-4-11-12(17)8-10(23)9-13(11)18/h5,7-9,23H,4,6H2,1-3H3,(H2,19,21,24)
InChIKeyGKXSUZOTWCTYHN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.99
Rot. Bonds4

About 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea

1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea (PubChem CID 167940324) has the molecular formula C16H20F2N4O2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea
PubChem CID167940324
Molecular FormulaC16H20F2N4O2
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea
SMILESCC(C)(C)n1nccc1NC(=O)NCCc1c(F)cc(O)cc1F
InChIInChI=1S/C16H20F2N4O2/c1-16(2,3)22-14(5-7-20-22)21-15(24)19-6-4-11-12(17)8-10(23)9-13(11)18/h5,7-9,23H,4,6H2,1-3H3,(H2,19,21,24)
InChIKeyGKXSUZOTWCTYHN-UHFFFAOYSA-N
XLogP2.99
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide
CID 119053913
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CID 130637088
N-(2-tert-butylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 154764331
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 86800621
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 86802352
1-[2-(2,6-difluorophenyl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 47066717
1-(2-tert-butylpyrazol-3-yl)-3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)urea
CID 138025003
N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 167931777
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
CID 108813860
1-(2-tert-butylpyrazol-3-yl)-3-[(1S)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 164636891
1-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-hydroxy-2-methylpropyl)urea
CID 99714480

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea (CID 167940324) is 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea is CC(C)(C)n1nccc1NC(=O)NCCc1c(F)cc(O)cc1F.
What is the InChIKey of 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea?
The InChIKey is GKXSUZOTWCTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2/c1-16(2,3)22-14(5-7-20-22)21-15(24)19-6-4-11-12(17)8-10(23)9-13(11)18/h5,7-9,23H,4,6H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea?
1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea has a molecular weight of 338.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazol-3-yl)-3-[2-(2,6-difluoro-4-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 167940324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).