N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide

C16H16F3N3O2 — CID 52941909

IUPACN,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C16H16F3N3O2/c1-21(2)15(23)10-3-5-11(6-4-10)22-13-7-8-24-9-12(13)14(20-22)16(17,18)19/h3-6H,7-9H2,1-2H3
InChIKeyDIFIZRORMQSCQR-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.67
Rot. Bonds2

About N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide

N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide (PubChem CID 52941909) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide
PubChem CID52941909
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1
InChIInChI=1S/C16H16F3N3O2/c1-21(2)15(23)10-3-5-11(6-4-10)22-13-7-8-24-9-12(13)14(20-22)16(17,18)19/h3-6H,7-9H2,1-2H3
InChIKeyDIFIZRORMQSCQR-UHFFFAOYSA-N
XLogP2.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide (CID 52941909) is N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide is CN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide?
The InChIKey is DIFIZRORMQSCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-21(2)15(23)10-3-5-11(6-4-10)22-13-7-8-24-9-12(13)14(20-22)16(17,18)19/h3-6H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide?
N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide has a molecular weight of 339.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]benzamide is sourced from PubChem (CID 52941909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).