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

C22H22F2N4O2 — CID 10047290

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H22F2N4O2/c1-2-6-18(25-21(29)11-14-9-16(23)12-17(24)10-14)22(30)26-20-13-19(27-28-20)15-7-4-3-5-8-15/h3-5,7-10,12-13,18H,2,6,11H2,1H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLSHKOHONIMNMLE-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.82
Rot. Bonds8

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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 10047290) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
PubChem CID10047290
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H22F2N4O2/c1-2-6-18(25-21(29)11-14-9-16(23)12-17(24)10-14)22(30)26-20-13-19(27-28-20)15-7-4-3-5-8-15/h3-5,7-10,12-13,18H,2,6,11H2,1H3,(H,25,29)(H2,26,27,28,30)
InChIKeyLSHKOHONIMNMLE-UHFFFAOYSA-N
XLogP3.82
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (CID 10047290) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is LSHKOHONIMNMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-2-6-18(25-21(29)11-14-9-16(23)12-17(24)10-14)22(30)26-20-13-19(27-28-20)15-7-4-3-5-8-15/h3-5,7-10,12-13,18H,2,6,11H2,1H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 412.44 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 10047290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).