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

C19H26N4O3 — CID 90913079

IUPAC2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C(C)C)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H26N4O3/c1-4-8-14(20-19(26)17(24)12(2)3)18(25)21-16-11-15(22-23-16)13-9-6-5-7-10-13/h5-7,9-12,14,17,24H,4,8H2,1-3H3,(H,20,26)(H2,21,22,23,25)
InChIKeyBVPAPWABXDTFAN-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.32
Rot. Bonds8

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

2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 90913079) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
PubChem CID90913079
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C(C)C)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C19H26N4O3/c1-4-8-14(20-19(26)17(24)12(2)3)18(25)21-16-11-15(22-23-16)13-9-6-5-7-10-13/h5-7,9-12,14,17,24H,4,8H2,1-3H3,(H,20,26)(H2,21,22,23,25)
InChIKeyBVPAPWABXDTFAN-UHFFFAOYSA-N
XLogP2.32
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 91455415
(2S)-2-[2-(3,5-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 11567475
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
(2S)-2-[2-(2,3-difluorophenyl)ethylamino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 11429435
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[5-(2-methyl-1-phenylpropan-2-yl)-1H-pyrazol-3-yl]amino]-1-oxopropan-2-yl]butanamide
CID 59385434
N-(5-phenyl-1H-pyrazol-3-yl)-2-[[2-(5-phenyl-3-pyridinyl)acetyl]amino]butanamide
CID 68895419
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 72649627
(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-N-[5-[4-methyl-2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]pentanamide
CID 87219281
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
CID 139318660
N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723090
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325
2-(benzylsulfonylamino)-N-(5-tert-butyl-1H-pyrazol-3-yl)pentanamide
CID 91331506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (CID 90913079) is 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is CCCC(NC(=O)C(O)C(C)C)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is BVPAPWABXDTFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-8-14(20-19(26)17(24)12(2)3)18(25)21-16-11-15(22-23-16)13-9-6-5-7-10-13/h5-7,9-12,14,17,24H,4,8H2,1-3H3,(H,20,26)(H2,21,22,23,25).
What are the key properties of 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 358.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 90913079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).