2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

C23H25ClN6O — CID 99871348

IUPAC2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12
InChIInChI=1S/C23H25ClN6O/c1-14(2)12-19(23-29-27-20-6-4-5-11-30(20)23)25-21(31)13-18-15(3)26-28-22(18)16-7-9-17(24)10-8-16/h4-11,14,19H,12-13H2,1-3H3,(H,25,31)(H,26,28)/t19-/m1/s1
InChIKeyAHEHEHDIQCFPSX-LJQANCHMSA-N
MW436.95 g/mol
LogP4.53
Rot. Bonds7

About 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (PubChem CID 99871348) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
PubChem CID99871348
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12
InChIInChI=1S/C23H25ClN6O/c1-14(2)12-19(23-29-27-20-6-4-5-11-30(20)23)25-21(31)13-18-15(3)26-28-22(18)16-7-9-17(24)10-8-16/h4-11,14,19H,12-13H2,1-3H3,(H,25,31)(H,26,28)/t19-/m1/s1
InChIKeyAHEHEHDIQCFPSX-LJQANCHMSA-N
XLogP4.53
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 91821175
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 124843512
N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 71828269
2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 29139599
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99871117
3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99870982
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
N-[2-[[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 71827793
4-(1-methylindol-3-yl)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 124846200
2-(4-chlorophenyl)sulfanyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 134030745
3-(4-chlorophenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 51278349

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (CID 99871348) is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn12.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The InChIKey is AHEHEHDIQCFPSX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-14(2)12-19(23-29-27-20-6-4-5-11-30(20)23)25-21(31)13-18-15(3)26-28-22(18)16-7-9-17(24)10-8-16/h4-11,14,19H,12-13H2,1-3H3,(H,25,31)(H,26,28)/t19-/m1/s1.
What are the key properties of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide has a molecular weight of 436.95 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 99871348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).