N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide

C15H15F3N4O2 — CID 72718816

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccccn1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)13-10-9-24-8-4-12(10)22(21-13)7-6-20-14(23)11-3-1-2-5-19-11/h1-3,5H,4,6-9H2,(H,20,23)
InChIKeyDKQYIXAMUFHUDC-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.80
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide (PubChem CID 72718816) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide
PubChem CID72718816
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccccn1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)13-10-9-24-8-4-12(10)22(21-13)7-6-20-14(23)11-3-1-2-5-19-11/h1-3,5H,4,6-9H2,(H,20,23)
InChIKeyDKQYIXAMUFHUDC-UHFFFAOYSA-N
XLogP1.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide (CID 72718816) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1ccccn1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is DKQYIXAMUFHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)13-10-9-24-8-4-12(10)22(21-13)7-6-20-14(23)11-3-1-2-5-19-11/h1-3,5H,4,6-9H2,(H,20,23).
What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 72718816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).