(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride

C18H25Cl2N3O3 — CID 155409604

IUPAC(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccn(C(C)C)n1.Cl
InChIInChI=1S/C18H24ClN3O3.ClH/c1-12(2)22-9-8-16(20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);1H/t15-,17-;/m1./s1
InChIKeyXYSTZPXONFTJNZ-SSPJITILSA-N
MW402.32 g/mol
LogP3.78
Rot. Bonds8

About (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride

(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride (PubChem CID 155409604) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride
PubChem CID155409604
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC Name(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride
SMILESCO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccn(C(C)C)n1.Cl
InChIInChI=1S/C18H24ClN3O3.ClH/c1-12(2)22-9-8-16(20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);1H/t15-,17-;/m1./s1
InChIKeyXYSTZPXONFTJNZ-SSPJITILSA-N
XLogP3.78
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride?
The IUPAC name of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride (CID 155409604) is (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride.
What is the SMILES notation for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride?
The canonical SMILES for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride is CO[C@H](CC(=O)NO)[C@H](Cc1ccc(Cl)cc1)c1ccn(C(C)C)n1.Cl.
What is the InChIKey of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride?
The InChIKey is XYSTZPXONFTJNZ-SSPJITILSA-N. The full InChI is InChI=1S/C18H24ClN3O3.ClH/c1-12(2)22-9-8-16(20-22)15(17(25-3)11-18(23)21-24)10-13-4-6-14(19)7-5-13;/h4-9,12,15,17,24H,10-11H2,1-3H3,(H,21,23);1H/t15-,17-;/m1./s1.
What are the key properties of (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride?
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride has a molecular weight of 402.32 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(1-propan-2-ylpyrazol-3-yl)pentanamide;hydrochloride is sourced from PubChem (CID 155409604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).