N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide

C19H22F3N3O3 — CID 2712558

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1OC
InChIInChI=1S/C19H22F3N3O3/c1-27-15-7-6-13(10-16(15)28-2)18(26)23-8-3-9-25-14(12-4-5-12)11-17(24-25)19(20,21)22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26)
InChIKeyZJTFXBIKUFHDPG-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.62
Rot. Bonds8

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide (PubChem CID 2712558) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide
PubChem CID2712558
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1OC
InChIInChI=1S/C19H22F3N3O3/c1-27-15-7-6-13(10-16(15)28-2)18(26)23-8-3-9-25-14(12-4-5-12)11-17(24-25)19(20,21)22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26)
InChIKeyZJTFXBIKUFHDPG-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-Methylpyrazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 899247
1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
CID 686254
Pyrazole, 3,5-dimethyl-1-(3,4,5-trimethoxybenzoyl)-
CID 737529
N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2811299
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
4-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrazol-1-yl]-N-(2-methylpropyl)benzamide
CID 145193925
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 658961
N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 5412212
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamide
CID 24793427

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide (CID 2712558) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1OC.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide?
The InChIKey is ZJTFXBIKUFHDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-27-15-7-6-13(10-16(15)28-2)18(26)23-8-3-9-25-14(12-4-5-12)11-17(24-25)19(20,21)22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide has a molecular weight of 397.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2712558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).