3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide

C14H18N4O — CID 15943520

IUPAC3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC(C)C(=O)Nc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-10(9-18-12(3)8-11(2)17-18)14(19)16-13-6-4-5-7-15-13/h4-8,10H,9H2,1-3H3,(H,15,16,19)
InChIKeyHDQHDHIQKWEFRI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 15943520) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID15943520
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC(C)C(=O)Nc2ccccn2)n1
InChIInChI=1S/C14H18N4O/c1-10(9-18-12(3)8-11(2)17-18)14(19)16-13-6-4-5-7-15-13/h4-8,10H,9H2,1-3H3,(H,15,16,19)
InChIKeyHDQHDHIQKWEFRI-UHFFFAOYSA-N
XLogP2.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793254
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 16877058
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
CID 95807805
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(1R,6R,7S,8R)-8-phenyl-7-bicyclo[4.2.0]octanyl]propanamide
CID 125037389
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide (CID 15943520) is 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide is Cc1cc(C)n(CC(C)C(=O)Nc2ccccn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is HDQHDHIQKWEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(9-18-12(3)8-11(2)17-18)14(19)16-13-6-4-5-7-15-13/h4-8,10H,9H2,1-3H3,(H,15,16,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 15943520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).