1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea

C13H17F3N6O2 — CID 138028291

IUPAC1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1c(C(F)(F)F)nn(C)c1NC(=O)NCC(O)c1ccnn1C
InChIInChI=1S/C13H17F3N6O2/c1-7-10(13(14,15)16)20-22(3)11(7)19-12(24)17-6-9(23)8-4-5-18-21(8)2/h4-5,9,23H,6H2,1-3H3,(H2,17,19,24)
InChIKeyWDFCRAJZDVOAEH-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.34
Rot. Bonds4

About 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea

1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 138028291) has the molecular formula C13H17F3N6O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID138028291
Molecular FormulaC13H17F3N6O2
Molecular Weight346.31 g/mol
Exact Mass346.14
IUPAC Name1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCc1c(C(F)(F)F)nn(C)c1NC(=O)NCC(O)c1ccnn1C
InChIInChI=1S/C13H17F3N6O2/c1-7-10(13(14,15)16)20-22(3)11(7)19-12(24)17-6-9(23)8-4-5-18-21(8)2/h4-5,9,23H,6H2,1-3H3,(H2,17,19,24)
InChIKeyWDFCRAJZDVOAEH-UHFFFAOYSA-N
XLogP1.34
TPSA97.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 138025719
1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 154781676
3-[3-[[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]carbamoylamino]phenyl]propanoic acid
CID 122089961
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-(prop-2-enoylamino)benzamide
CID 166412228
4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 136566340
1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
CID 164642958
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
CID 170825003
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
CID 124727220

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea (CID 138028291) is 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea is Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCC(O)c1ccnn1C.
What is the InChIKey of 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is WDFCRAJZDVOAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O2/c1-7-10(13(14,15)16)20-22(3)11(7)19-12(24)17-6-9(23)8-4-5-18-21(8)2/h4-5,9,23H,6H2,1-3H3,(H2,17,19,24).
What are the key properties of 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea?
1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 346.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 138028291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).