N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C29H35F3N6O2 — CID 129226515

IUPACN-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cnn(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)c1
InChIInChI=1S/C29H35F3N6O2/c1-19-17-33-37(18-19)14-13-21(15-27(39)34-20-7-6-8-20)35-28(40)25-16-26(38(36-25)22-9-2-3-10-22)23-11-4-5-12-24(23)29(30,31)32/h4-5,11-12,16-18,20-22H,2-3,6-10,13-15H2,1H3,(H,34,39)(H,35,40)/t21-/m0/s1
InChIKeyGKLXHNZFGVXVQK-NRFANRHFSA-N
MW556.63 g/mol
LogP5.44
Rot. Bonds10

About N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 129226515) has the molecular formula C29H35F3N6O2 and a molecular weight of 556.63 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID129226515
Molecular FormulaC29H35F3N6O2
Molecular Weight556.63 g/mol
Exact Mass556.28
IUPAC NameN-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cnn(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)c1
InChIInChI=1S/C29H35F3N6O2/c1-19-17-33-37(18-19)14-13-21(15-27(39)34-20-7-6-8-20)35-28(40)25-16-26(38(36-25)22-9-2-3-10-22)23-11-4-5-12-24(23)29(30,31)32/h4-5,11-12,16-18,20-22H,2-3,6-10,13-15H2,1H3,(H,34,39)(H,35,40)/t21-/m0/s1
InChIKeyGKLXHNZFGVXVQK-NRFANRHFSA-N
XLogP5.44
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 129226515) is N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-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-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1cnn(CC[C@@H](CC(=O)NC2CCC2)NC(=O)c2cc(-c3ccccc3C(F)(F)F)n(C3CCCC3)n2)c1.
What is the InChIKey of N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is GKLXHNZFGVXVQK-NRFANRHFSA-N. The full InChI is InChI=1S/C29H35F3N6O2/c1-19-17-33-37(18-19)14-13-21(15-27(39)34-20-7-6-8-20)35-28(40)25-16-26(38(36-25)22-9-2-3-10-22)23-11-4-5-12-24(23)29(30,31)32/h4-5,11-12,16-18,20-22H,2-3,6-10,13-15H2,1H3,(H,34,39)(H,35,40)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[(3S)-1-(cyclobutylamino)-5-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 556.63 g/mol, XLogP of 5.44, 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-(4-methylpyrazol-1-yl)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129226515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).