1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C17H16F3N7O — CID 75512170

IUPAC1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1CCc2ncnn2C1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-4-14(26-7-1-6-22-26)13(8-11)25-16(28)24-12-3-5-15-21-10-23-27(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,24,25,28)
InChIKeyNBLICYUZTXJVTK-UHFFFAOYSA-N
MW391.36 g/mol
LogP2.62
Rot. Bonds3

About 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 75512170) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID75512170
Molecular FormulaC17H16F3N7O
Molecular Weight391.36 g/mol
Exact Mass391.14
IUPAC Name1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1CCc2ncnn2C1
InChIInChI=1S/C17H16F3N7O/c18-17(19,20)11-2-4-14(26-7-1-6-22-26)13(8-11)25-16(28)24-12-3-5-15-21-10-23-27(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,24,25,28)
InChIKeyNBLICYUZTXJVTK-UHFFFAOYSA-N
XLogP2.62
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804711
1-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-(2,4,5-trifluorophenyl)urea
CID 99631930
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99633384
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
1-(3-phenyl-1,2-thiazol-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126831651
1-(3-chloro-5-fluorophenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804730

Frequently Asked Questions

What is the IUPAC name of 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 75512170) is 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)NC1CCc2ncnn2C1.
What is the InChIKey of 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is NBLICYUZTXJVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c18-17(19,20)11-2-4-14(26-7-1-6-22-26)13(8-11)25-16(28)24-12-3-5-15-21-10-23-27(15)9-12/h1-2,4,6-8,10,12H,3,5,9H2,(H2,24,25,28).
What are the key properties of 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 391.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 75512170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).