(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide

C15H20N4O — CID 125138149

IUPAC(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N(C)c1ccn(C)n1
InChIInChI=1S/C15H20N4O/c1-12(19(3)14-9-10-18(2)17-14)15(20)16-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyUOSIITVQGSKCRI-GFCCVEGCSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds5

About (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide

(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide (PubChem CID 125138149) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
PubChem CID125138149
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N(C)c1ccn(C)n1
InChIInChI=1S/C15H20N4O/c1-12(19(3)14-9-10-18(2)17-14)15(20)16-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,16,20)/t12-/m1/s1
InChIKeyUOSIITVQGSKCRI-GFCCVEGCSA-N
XLogP1.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide (CID 125138149) is (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide is C[C@H](C(=O)NCc1ccccc1)N(C)c1ccn(C)n1.
What is the InChIKey of (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
The InChIKey is UOSIITVQGSKCRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(19(3)14-9-10-18(2)17-14)15(20)16-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide?
(2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[methyl-(1-methylpyrazol-3-yl)amino]propanamide is sourced from PubChem (CID 125138149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).