N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

C23H30N4O3 — CID 24817491

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCC2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28)
InChIKeyARPJIVHVVXVYPP-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.02
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 24817491) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID24817491
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCC2=O)cc1
InChIInChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28)
InChIKeyARPJIVHVVXVYPP-UHFFFAOYSA-N
XLogP3.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420
4-[({[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}amino)methyl]-1-ethyl-2-pyrrolidinone
CID 16189849
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methyl-3-furamide
CID 24790593
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 24791125
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,2-dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxamide
CID 24791156
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 24791319
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 24791549
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 24793838
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3-furamide
CID 24816962
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24817092

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 24817491) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCN2CCCC2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is ARPJIVHVVXVYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-23(2)13-19(25-21(28)10-12-26-11-4-5-22(26)29)18-15-24-27(20(18)14-23)16-6-8-17(30-3)9-7-16/h6-9,15,19H,4-5,10-14H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 24817491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).