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

C15H15F3N4O2 — CID 72718815

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)13-11-9-24-7-3-12(11)22(21-13)6-5-20-14(23)10-2-1-4-19-8-10/h1-2,4,8H,3,5-7,9H2,(H,20,23)
InChIKeyAVXUSEYZVYEWAO-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-3-carboxamide

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 72718815) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID72718815
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-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)13-11-9-24-7-3-12(11)22(21-13)6-5-20-14(23)10-2-1-4-19-8-10/h1-2,4,8H,3,5-7,9H2,(H,20,23)
InChIKeyAVXUSEYZVYEWAO-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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Related Compounds

3-nitro-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615535
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 90615556
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
1-cyclohexyl-3-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]urea
CID 90615777
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethanamine
CID 91623973
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831

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-3-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide (CID 72718815) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is AVXUSEYZVYEWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)13-11-9-24-7-3-12(11)22(21-13)6-5-20-14(23)10-2-1-4-19-8-10/h1-2,4,8H,3,5-7,9H2,(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-3-carboxamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 72718815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).