(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide

C14H18N4O — CID 95623384

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)n2nc(C)cc2C)ccn1
InChIInChI=1S/C14H18N4O/c1-9-8-13(5-6-15-9)16-14(19)12(4)18-11(3)7-10(2)17-18/h5-8,12H,1-4H3,(H,15,16,19)/t12-/m0/s1
InChIKeyFDMJELLUGYEQME-LBPRGKRZSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds3

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide (PubChem CID 95623384) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
PubChem CID95623384
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)n2nc(C)cc2C)ccn1
InChIInChI=1S/C14H18N4O/c1-9-8-13(5-6-15-9)16-14(19)12(4)18-11(3)7-10(2)17-18/h5-8,12H,1-4H3,(H,15,16,19)/t12-/m0/s1
InChIKeyFDMJELLUGYEQME-LBPRGKRZSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 56787187
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
2-(3,5-dimethylpyrazol-1-yl)-N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]propanamide
CID 46974394
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
2-(4-bromophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110675318
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide (CID 95623384) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide is Cc1cc(NC(=O)[C@H](C)n2nc(C)cc2C)ccn1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide?
The InChIKey is FDMJELLUGYEQME-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-8-13(5-6-15-9)16-14(19)12(4)18-11(3)7-10(2)17-18/h5-8,12H,1-4H3,(H,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide is sourced from PubChem (CID 95623384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).