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

C25H33N5O2 — CID 24819178

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C25H33N5O2/c1-16-20(17(2)29(5)28-16)11-12-24(31)27-22-13-25(3,4)14-23-21(22)15-26-30(23)18-7-9-19(32-6)10-8-18/h7-10,15,22H,11-14H2,1-6H3,(H,27,31)
InChIKeyFMXSDCGYFSAGSS-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.99
Rot. Bonds6

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

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24819178) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24819178
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C25H33N5O2/c1-16-20(17(2)29(5)28-16)11-12-24(31)27-22-13-25(3,4)14-23-21(22)15-26-30(23)18-7-9-19(32-6)10-8-18/h7-10,15,22H,11-14H2,1-6H3,(H,27,31)
InChIKeyFMXSDCGYFSAGSS-UHFFFAOYSA-N
XLogP3.99
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24816901
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 24817323
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-methoxybenzamide
CID 24817340
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methyl-2-pyrazinecarboxamide
CID 24819487

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24819178) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is FMXSDCGYFSAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-16-20(17(2)29(5)28-16)11-12-24(31)27-22-13-25(3,4)14-23-21(22)15-26-30(23)18-7-9-19(32-6)10-8-18/h7-10,15,22H,11-14H2,1-6H3,(H,27,31).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 435.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24819178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).