(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide

C16H20ClN3O2 — CID 164633364

IUPAC(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](C)c2ccnn2C)cc1Cl
InChIInChI=1S/C16H20ClN3O2/c1-11(14-7-8-18-20(14)3)16(21)19(2)10-12-5-6-15(22-4)13(17)9-12/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyPVPWTIMQKABIEN-LLVKDONJSA-N
MW321.81 g/mol
LogP2.84
Rot. Bonds5

About (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide

(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide (PubChem CID 164633364) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
PubChem CID164633364
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](C)c2ccnn2C)cc1Cl
InChIInChI=1S/C16H20ClN3O2/c1-11(14-7-8-18-20(14)3)16(21)19(2)10-12-5-6-15(22-4)13(17)9-12/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyPVPWTIMQKABIEN-LLVKDONJSA-N
XLogP2.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide (CID 164633364) is (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide is COc1ccc(CN(C)C(=O)[C@H](C)c2ccnn2C)cc1Cl.
What is the InChIKey of (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is PVPWTIMQKABIEN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(14-7-8-18-20(14)3)16(21)19(2)10-12-5-6-15(22-4)13(17)9-12/h5-9,11H,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide?
(2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 321.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 164633364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).