2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide

C23H26N4O3 — CID 10454010

IUPAC2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(CO)c1ccccc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C23H26N4O3/c1-2-9-19(24-22(29)18(15-28)16-10-5-3-6-11-16)23(30)25-21-14-20(26-27-21)17-12-7-4-8-13-17/h3-8,10-14,18-19,28H,2,9,15H2,1H3,(H,24,29)(H2,25,26,27,30)
InChIKeyDCCBJWXDCXJRSV-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.08
Rot. Bonds9

About 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide

2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 10454010) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
PubChem CID10454010
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(CO)c1ccccc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C23H26N4O3/c1-2-9-19(24-22(29)18(15-28)16-10-5-3-6-11-16)23(30)25-21-14-20(26-27-21)17-12-7-4-8-13-17/h3-8,10-14,18-19,28H,2,9,15H2,1H3,(H,24,29)(H2,25,26,27,30)
InChIKeyDCCBJWXDCXJRSV-UHFFFAOYSA-N
XLogP3.08
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
CID 155168084
2-Phenyl-1-[4-(3-phenyl-1H-pyrazol-5-YL)piperazin-1-YL]propan-1-one
CID 75527259
2-Phenyl-1-[4-(3-phenyl-1H-pyrazol-5-YL)-1,4-diazepan-1-YL]propan-1-one
CID 91904652
2-[[2-(3,5-difluorophenyl)acetyl]amino]-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 9955202
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]butanamide
CID 9998111
2-[[2-(2,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10022888
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-ethylphenyl)-1H-pyrazol-3-yl]propanamide
CID 10024652
N-[5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10026252
2-cyclohexyl-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 10027623
2-[[2-(3-fluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)propanamide
CID 10044419
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 10047290
2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 10047400

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (CID 10454010) is 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is CCCC(NC(=O)C(CO)c1ccccc1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is DCCBJWXDCXJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-9-19(24-22(29)18(15-28)16-10-5-3-6-11-16)23(30)25-21-14-20(26-27-21)17-12-7-4-8-13-17/h3-8,10-14,18-19,28H,2,9,15H2,1H3,(H,24,29)(H2,25,26,27,30).
What are the key properties of 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 406.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-phenylpropanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 10454010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).