N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C21H24N4OS — CID 71797521

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-15(2)27-19-6-4-16(5-7-19)12-21(26)23-14-18-13-20(25(3)24-18)17-8-10-22-11-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,26)
InChIKeyBJFVRWXAHNZYTI-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.84
Rot. Bonds7

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 71797521) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID71797521
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-15(2)27-19-6-4-16(5-7-19)12-21(26)23-14-18-13-20(25(3)24-18)17-8-10-22-11-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,26)
InChIKeyBJFVRWXAHNZYTI-UHFFFAOYSA-N
XLogP3.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]naphthalene-1-carboxamide
CID 90555005
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
(2S)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-phenoxypropanamide
CID 97042298
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 71797521) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCc2cc(-c3ccncc3)n(C)n2)cc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is BJFVRWXAHNZYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(2)27-19-6-4-16(5-7-19)12-21(26)23-14-18-13-20(25(3)24-18)17-8-10-22-11-9-17/h4-11,13,15H,12,14H2,1-3H3,(H,23,26).
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 71797521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).