(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide

C15H20N4O — CID 124752037

IUPAC(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-11-6-4-5-7-14(11)17-15(20)12(2)19(3)10-13-8-9-16-18-13/h4-9,12H,10H2,1-3H3,(H,16,18)(H,17,20)/t12-/m1/s1
InChIKeyIIBLZPQZOBUQEV-GFCCVEGCSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds5

About (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide

(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide (PubChem CID 124752037) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
PubChem CID124752037
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
SMILESCc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccn[nH]1
InChIInChI=1S/C15H20N4O/c1-11-6-4-5-7-14(11)17-15(20)12(2)19(3)10-13-8-9-16-18-13/h4-9,12H,10H2,1-3H3,(H,16,18)(H,17,20)/t12-/m1/s1
InChIKeyIIBLZPQZOBUQEV-GFCCVEGCSA-N
XLogP2.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
CID 124755985
(2R)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
CID 124755986
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2S)-2-[benzyl(methyl)amino]-N-quinolin-5-ylpropanamide
CID 32727431
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-pyrimidin-2-ylpropanamide
CID 78834668

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The IUPAC name of (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide (CID 124752037) is (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The canonical SMILES for (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide is Cc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccn[nH]1.
What is the InChIKey of (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The InChIKey is IIBLZPQZOBUQEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-6-4-5-7-14(11)17-15(20)12(2)19(3)10-13-8-9-16-18-13/h4-9,12H,10H2,1-3H3,(H,16,18)(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide is sourced from PubChem (CID 124752037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).