N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C20H26F2N4O2 — CID 10363106

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C20H26F2N4O2/c1-5-6-15(19(28)24-17-11-16(25-26-17)20(2,3)4)23-18(27)9-12-7-13(21)10-14(22)8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,23,27)(H2,24,25,26,28)
InChIKeyHHFLBJQOQFULJQ-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.45
Rot. Bonds7

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 10363106) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID10363106
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C20H26F2N4O2/c1-5-6-15(19(28)24-17-11-16(25-26-17)20(2,3)4)23-18(27)9-12-7-13(21)10-14(22)8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,23,27)(H2,24,25,26,28)
InChIKeyHHFLBJQOQFULJQ-UHFFFAOYSA-N
XLogP3.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 10363106) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is HHFLBJQOQFULJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-5-6-15(19(28)24-17-11-16(25-26-17)20(2,3)4)23-18(27)9-12-7-13(21)10-14(22)8-12/h7-8,10-11,15H,5-6,9H2,1-4H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 392.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 10363106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).