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

C20H22F3N3O2 — CID 86264435

IUPACN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nn(C2CCCC2)c2c1COCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)14-5-3-4-13(10-14)19(27)24-11-17-16-12-28-9-8-18(16)26(25-17)15-6-1-2-7-15/h3-5,10,15H,1-2,6-9,11-12H2,(H,24,27)
InChIKeyQMLWVVSGGPERPI-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.02
Rot. Bonds4

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

N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 86264435) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID86264435
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1nn(C2CCCC2)c2c1COCC2)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)14-5-3-4-13(10-14)19(27)24-11-17-16-12-28-9-8-18(16)26(25-17)15-6-1-2-7-15/h3-5,10,15H,1-2,6-9,11-12H2,(H,24,27)
InChIKeyQMLWVVSGGPERPI-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

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3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
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N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
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N-[[5-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 86264435) is N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is O=C(NCc1nn(C2CCCC2)c2c1COCC2)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QMLWVVSGGPERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)14-5-3-4-13(10-14)19(27)24-11-17-16-12-28-9-8-18(16)26(25-17)15-6-1-2-7-15/h3-5,10,15H,1-2,6-9,11-12H2,(H,24,27).
What are the key properties of N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86264435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).