N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H20F3N3O2 — CID 70704652

IUPACN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2c(C)nn(C)c2C)c(C(F)(F)F)o1
InChIInChI=1S/C16H20F3N3O2/c1-9-7-12(15(24-9)16(17,18)19)8-20-14(23)6-5-13-10(2)21-22(4)11(13)3/h7H,5-6,8H2,1-4H3,(H,20,23)
InChIKeyXOMFUSXLNZLEIG-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.21
Rot. Bonds5

About N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 70704652) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID70704652
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(CNC(=O)CCc2c(C)nn(C)c2C)c(C(F)(F)F)o1
InChIInChI=1S/C16H20F3N3O2/c1-9-7-12(15(24-9)16(17,18)19)8-20-14(23)6-5-13-10(2)21-22(4)11(13)3/h7H,5-6,8H2,1-4H3,(H,20,23)
InChIKeyXOMFUSXLNZLEIG-UHFFFAOYSA-N
XLogP3.21
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50961629
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24586287
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86836141
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50974928

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 70704652) is N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc(CNC(=O)CCc2c(C)nn(C)c2C)c(C(F)(F)F)o1.
What is the InChIKey of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XOMFUSXLNZLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9-7-12(15(24-9)16(17,18)19)8-20-14(23)6-5-13-10(2)21-22(4)11(13)3/h7H,5-6,8H2,1-4H3,(H,20,23).
What are the key properties of N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 343.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 70704652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).