3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide

C20H27F3N4O — CID 91437595

IUPAC3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC=NC(=CC=C(C)C)NC(=O)C(CC1CCCC1)n1cc(C(F)(F)F)c(C)n1
InChIInChI=1S/C20H27F3N4O/c1-13(2)9-10-18(24-4)25-19(28)17(11-15-7-5-6-8-15)27-12-16(14(3)26-27)20(21,22)23/h9-10,12,15,17H,4-8,11H2,1-3H3,(H,25,28)
InChIKeyCQNFVDUXFNLGAG-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.96
Rot. Bonds7

About 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide

3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 91437595) has the molecular formula C20H27F3N4O and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID91437595
Molecular FormulaC20H27F3N4O
Molecular Weight396.46 g/mol
Exact Mass396.21
IUPAC Name3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESC=NC(=CC=C(C)C)NC(=O)C(CC1CCCC1)n1cc(C(F)(F)F)c(C)n1
InChIInChI=1S/C20H27F3N4O/c1-13(2)9-10-18(24-4)25-19(28)17(11-15-7-5-6-8-15)27-12-16(14(3)26-27)20(21,22)23/h9-10,12,15,17H,4-8,11H2,1-3H3,(H,25,28)
InChIKeyCQNFVDUXFNLGAG-UHFFFAOYSA-N
XLogP4.96
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[3-Cyclopentyl-1-methyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
CID 174624069
3-[3-Cyclopentyl-1-methyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
CID 174637354
3-[(2S)-3-cyclopentyl-1-methyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propanamide
CID 174637365
(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043347
(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 177043450
1-(Methylamino)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 79573301
2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
CID 167940109

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 91437595) is 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide is C=NC(=CC=C(C)C)NC(=O)C(CC1CCCC1)n1cc(C(F)(F)F)c(C)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is CQNFVDUXFNLGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N4O/c1-13(2)9-10-18(24-4)25-19(28)17(11-15-7-5-6-8-15)27-12-16(14(3)26-27)20(21,22)23/h9-10,12,15,17H,4-8,11H2,1-3H3,(H,25,28).
What are the key properties of 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide?
3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 396.46 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 91437595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).