(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide

C17H22ClN3O2 — CID 100739038

IUPAC(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide
SMILESCCc1nn(C)cc1CNC(=O)[C@@](O)(CC)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-4-15-12(11-21(3)20-15)10-19-16(22)17(23,5-2)13-7-6-8-14(18)9-13/h6-9,11,23H,4-5,10H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyDINZOYDUYHHHAA-QGZVFWFLSA-N
MW335.84 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide

(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide (PubChem CID 100739038) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide
PubChem CID100739038
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide
SMILESCCc1nn(C)cc1CNC(=O)[C@@](O)(CC)c1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-4-15-12(11-21(3)20-15)10-19-16(22)17(23,5-2)13-7-6-8-14(18)9-13/h6-9,11,23H,4-5,10H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyDINZOYDUYHHHAA-QGZVFWFLSA-N
XLogP2.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide?
The IUPAC name of (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide (CID 100739038) is (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide is CCc1nn(C)cc1CNC(=O)[C@@](O)(CC)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide?
The InChIKey is DINZOYDUYHHHAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-4-15-12(11-21(3)20-15)10-19-16(22)17(23,5-2)13-7-6-8-14(18)9-13/h6-9,11,23H,4-5,10H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide?
(2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide has a molecular weight of 335.84 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxybutanamide is sourced from PubChem (CID 100739038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).