(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide

C19H23N3O2 — CID 97265690

IUPAC(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-13(19(24)21-17-11-20-22(2)12-17)15-8-6-14(7-9-15)10-16-4-3-5-18(16)23/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,21,24)/t13-,16-/m0/s1
InChIKeyCAZQMHYTEPLIIV-BBRMVZONSA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds5

About (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide

(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide (PubChem CID 97265690) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
PubChem CID97265690
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@@H]2CCCC2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-13(19(24)21-17-11-20-22(2)12-17)15-8-6-14(7-9-15)10-16-4-3-5-18(16)23/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,21,24)/t13-,16-/m0/s1
InChIKeyCAZQMHYTEPLIIV-BBRMVZONSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide with MolForge

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Related Compounds

2-[[4-[(2S)-4-methyl-3-oxopentan-2-yl]phenyl]methyl]cyclopentan-1-one
CID 118474303
(2S)-N-[(1S)-2-hydroxy-1-phenylethyl]-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 124846639
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744
(2R)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide
CID 110204106
N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanamide
CID 71703103
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
N-(1-methylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47284219
2-[(4-methylphenyl)methyl]cyclopentan-1-one
CID 18714737
1-[1-(4-ethylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)urea
CID 86987830
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 86638662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The IUPAC name of (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide (CID 97265690) is (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide.
What is the SMILES notation for (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The canonical SMILES for (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide is C[C@H](C(=O)Nc1cnn(C)c1)c1ccc(C[C@@H]2CCCC2=O)cc1.
What is the InChIKey of (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide?
The InChIKey is CAZQMHYTEPLIIV-BBRMVZONSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(19(24)21-17-11-20-22(2)12-17)15-8-6-14(7-9-15)10-16-4-3-5-18(16)23/h6-9,11-13,16H,3-5,10H2,1-2H3,(H,21,24)/t13-,16-/m0/s1.
What are the key properties of (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide?
(2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide has a molecular weight of 325.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-methylpyrazol-4-yl)-2-[4-[[(1S)-2-oxocyclopentyl]methyl]phenyl]propanamide is sourced from PubChem (CID 97265690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).