N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide

C20H21F3N4O2 — CID 34179141

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C2CC2)cc1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)17-9-10-26(25-17)12-18(28)27(16-7-8-16)11-13-1-3-14(4-2-13)19(29)24-15-5-6-15/h1-4,9-10,15-16H,5-8,11-12H2,(H,24,29)
InChIKeyNEEGGYPJOYCTCU-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.99
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide (PubChem CID 34179141) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide
PubChem CID34179141
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C2CC2)cc1
InChIInChI=1S/C20H21F3N4O2/c21-20(22,23)17-9-10-26(25-17)12-18(28)27(16-7-8-16)11-13-1-3-14(4-2-13)19(29)24-15-5-6-15/h1-4,9-10,15-16H,5-8,11-12H2,(H,24,29)
InChIKeyNEEGGYPJOYCTCU-UHFFFAOYSA-N
XLogP2.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 33341018
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N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 71684734
N-cyclopropyl-4-[[cyclopropyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]methyl]benzamide
CID 34179937
N-cyclopropyl-4-[[cyclopropyl-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
CID 33343002
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide (CID 34179141) is N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)Cn2ccc(C(F)(F)F)n2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide?
The InChIKey is NEEGGYPJOYCTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c21-20(22,23)17-9-10-26(25-17)12-18(28)27(16-7-8-16)11-13-1-3-14(4-2-13)19(29)24-15-5-6-15/h1-4,9-10,15-16H,5-8,11-12H2,(H,24,29).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide has a molecular weight of 406.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 34179141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).