N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C30H40F3N5O2 — CID 164942969

About N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 164942969) has the molecular formula C30H40F3N5O2 and a molecular weight of 559.68 g/mol. Its IUPAC name is N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• PubChem CID: 164942969
• Molecular Formula: C30H40F3N5O2
• Molecular Weight: 559.68 g/mol
• Exact Mass: 559.31
• IUPAC Name: N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
• SMILES: CN(CCC(CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C1CCC1
• InChI: InChI=1S/C30H40F3N5O2/c1-37(22-12-7-13-22)17-16-21(18-28(39)34-20-8-6-9-20)35-29(40)26-19-27(38(36-26)23-10-2-3-11-23)24-14-4-5-15-25(24)30(31,32)33/h4-5,14-15,19-23H,2-3,6-13,16-18H2,1H3,(H,34,39)(H,35,40)
• InChIKey: OTFDHSMTFGONTF-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.68
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The IUPAC name of N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 164942969) is N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CN(CCC(CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(C2CCCC2)n1)C1CCC1.

What is the InChIKey of N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

The InChIKey is OTFDHSMTFGONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F3N5O2/c1-37(22-12-7-13-22)17-16-21(18-28(39)34-20-8-6-9-20)35-29(40)26-19-27(38(36-26)23-10-2-3-11-23)24-14-4-5-15-25(24)30(31,32)33/h4-5,14-15,19-23H,2-3,6-13,16-18H2,1H3,(H,34,39)(H,35,40).

What are the key properties of N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?

N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 559.68 g/mol, XLogP of 5.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclobutylamino)-5-[cyclobutyl(methyl)amino]-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164942969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).