1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

C14H17F3N6O — CID 125461958

IUPAC1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCCn1ncc(NC(=O)Nc2cc3n(n2)CCCC3)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-2-22-12(14(15,16)17)10(8-18-22)19-13(24)20-11-7-9-5-3-4-6-23(9)21-11/h7-8H,2-6H2,1H3,(H2,19,20,21,24)
InChIKeyWBYKMDGHJQQSIC-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea

1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 125461958) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
PubChem CID125461958
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
SMILESCCn1ncc(NC(=O)Nc2cc3n(n2)CCCC3)c1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-2-22-12(14(15,16)17)10(8-18-22)19-13(24)20-11-7-9-5-3-4-6-23(9)21-11/h7-8H,2-6H2,1H3,(H2,19,20,21,24)
InChIKeyWBYKMDGHJQQSIC-UHFFFAOYSA-N
XLogP3.10
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea (CID 125461958) is 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is CCn1ncc(NC(=O)Nc2cc3n(n2)CCCC3)c1C(F)(F)F.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is WBYKMDGHJQQSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-2-22-12(14(15,16)17)10(8-18-22)19-13(24)20-11-7-9-5-3-4-6-23(9)21-11/h7-8H,2-6H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea?
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 342.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 125461958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).