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

C22H30N4O3 — CID 91455415

IUPAC2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C1CCCCC1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H30N4O3/c1-2-9-17(23-22(29)20(27)16-12-7-4-8-13-16)21(28)24-19-14-18(25-26-19)15-10-5-3-6-11-15/h3,5-6,10-11,14,16-17,20,27H,2,4,7-9,12-13H2,1H3,(H,23,29)(H2,24,25,26,28)
InChIKeyQQNAMSXMRSUEHF-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.24
Rot. Bonds8

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

2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (PubChem CID 91455415) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
PubChem CID91455415
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
SMILESCCCC(NC(=O)C(O)C1CCCCC1)C(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C22H30N4O3/c1-2-9-17(23-22(29)20(27)16-12-7-4-8-13-16)21(28)24-19-14-18(25-26-19)15-10-5-3-6-11-15/h3,5-6,10-11,14,16-17,20,27H,2,4,7-9,12-13H2,1H3,(H,23,29)(H2,24,25,26,28)
InChIKeyQQNAMSXMRSUEHF-UHFFFAOYSA-N
XLogP3.24
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The IUPAC name of 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide (CID 91455415) is 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The canonical SMILES for 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is CCCC(NC(=O)C(O)C1CCCCC1)C(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
The InChIKey is QQNAMSXMRSUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-9-17(23-22(29)20(27)16-12-7-4-8-13-16)21(28)24-19-14-18(25-26-19)15-10-5-3-6-11-15/h3,5-6,10-11,14,16-17,20,27H,2,4,7-9,12-13H2,1H3,(H,23,29)(H2,24,25,26,28).
What are the key properties of 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide?
2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide has a molecular weight of 398.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide is sourced from PubChem (CID 91455415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).