N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide

C20H22F3N3O3 — CID 146073496

IUPACN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCc1nn(CC2CC2)c2c1COCC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)29-15-5-3-14(4-6-15)19(27)24-9-7-17-16-12-28-10-8-18(16)26(25-17)11-13-1-2-13/h3-6,13H,1-2,7-12H2,(H,24,27)
InChIKeyIKGWGAXGTSTMOA-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.24
Rot. Bonds7

About N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide

N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 146073496) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID146073496
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCc1nn(CC2CC2)c2c1COCC2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)29-15-5-3-14(4-6-15)19(27)24-9-7-17-16-12-28-10-8-18(16)26(25-17)11-13-1-2-13/h3-6,13H,1-2,7-12H2,(H,24,27)
InChIKeyIKGWGAXGTSTMOA-UHFFFAOYSA-N
XLogP3.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-(4-methylphenyl)acetamide
CID 146073467
3-chloro-4-fluoro-N-[2-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]benzamide
CID 146073485
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 121139344
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 154579051
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 75396439
2-[2-[[4-(trifluoromethoxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242442
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 39559682
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 46613009
N-(2-morpholin-4-yl-2-phenylethyl)-4-(trifluoromethoxy)benzamide
CID 46578547

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide (CID 146073496) is N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide is O=C(NCCc1nn(CC2CC2)c2c1COCC2)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is IKGWGAXGTSTMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)29-15-5-3-14(4-6-15)19(27)24-9-7-17-16-12-28-10-8-18(16)26(25-17)11-13-1-2-13/h3-6,13H,1-2,7-12H2,(H,24,27).
What are the key properties of N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide?
N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 409.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 146073496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).