1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea

C14H16F3N5O2 — CID 138025719

IUPAC1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(NC(=O)NCC(O)c2ccnn2C)cnc1C(F)(F)F
InChIInChI=1S/C14H16F3N5O2/c1-8-5-9(6-18-12(8)14(15,16)17)21-13(24)19-7-11(23)10-3-4-20-22(10)2/h3-6,11,23H,7H2,1-2H3,(H2,19,21,24)
InChIKeyPDBOXNPUOGFMNZ-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea

1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 138025719) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID138025719
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCc1cc(NC(=O)NCC(O)c2ccnn2C)cnc1C(F)(F)F
InChIInChI=1S/C14H16F3N5O2/c1-8-5-9(6-18-12(8)14(15,16)17)21-13(24)19-7-11(23)10-3-4-20-22(10)2/h3-6,11,23H,7H2,1-2H3,(H2,19,21,24)
InChIKeyPDBOXNPUOGFMNZ-UHFFFAOYSA-N
XLogP2.00
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 138028291
1-(1-cyclohexyl-4-methylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]urea
CID 154781676
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
N-[(2S)-2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-methyl-4-morpholin-4-ylbenzamide
CID 164642958
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
CID 124727220
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631
1-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119045396

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea (CID 138025719) is 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea is Cc1cc(NC(=O)NCC(O)c2ccnn2C)cnc1C(F)(F)F.
What is the InChIKey of 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is PDBOXNPUOGFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-8-5-9(6-18-12(8)14(15,16)17)21-13(24)19-7-11(23)10-3-4-20-22(10)2/h3-6,11,23H,7H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 343.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-3-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 138025719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).