N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C30H37F3N6O2 — CID 129226536

IUPACN-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)n1
InChIInChI=1S/C30H37F3N6O2/c1-19-16-20(2)38(36-19)15-14-22(17-28(40)34-21-8-7-9-21)35-29(41)26-18-27(39(37-26)23-10-3-4-11-23)24-12-5-6-13-25(24)30(31,32)33/h5-6,12-13,16,18,21-23H,3-4,7-11,14-15,17H2,1-2H3,(H,34,40)(H,35,41)/t22-/m0/s1
InChIKeyMAUOCTHVSIIULV-QFIPXVFZSA-N
MW570.66 g/mol
LogP5.74
Rot. Bonds10

About N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 129226536) has the molecular formula C30H37F3N6O2 and a molecular weight of 570.66 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID129226536
Molecular FormulaC30H37F3N6O2
Molecular Weight570.66 g/mol
Exact Mass570.29
IUPAC NameN-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)n1
InChIInChI=1S/C30H37F3N6O2/c1-19-16-20(2)38(36-19)15-14-22(17-28(40)34-21-8-7-9-21)35-29(41)26-18-27(39(37-26)23-10-3-4-11-23)24-12-5-6-13-25(24)30(31,32)33/h5-6,12-13,16,18,21-23H,3-4,7-11,14-15,17H2,1-2H3,(H,34,40)(H,35,41)/t22-/m0/s1
InChIKeyMAUOCTHVSIIULV-QFIPXVFZSA-N
XLogP5.74
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.66
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 129226536) is N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C)n(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)n1.
What is the InChIKey of N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is MAUOCTHVSIIULV-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H37F3N6O2/c1-19-16-20(2)38(36-19)15-14-22(17-28(40)34-21-8-7-9-21)35-29(41)26-18-27(39(37-26)23-10-3-4-11-23)24-12-5-6-13-25(24)30(31,32)33/h5-6,12-13,16,18,21-23H,3-4,7-11,14-15,17H2,1-2H3,(H,34,40)(H,35,41)/t22-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 570.66 g/mol, XLogP of 5.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclobutylamino)-5-(3,5-dimethylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129226536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).