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

C24H31N5O2 — CID 24791503

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C24H31N5O2/c1-16-12-17(2)28(27-16)11-10-23(30)26-21-13-24(3,4)14-22-20(21)15-25-29(22)18-6-8-19(31-5)9-7-18/h6-9,12,15,21H,10-11,13-14H2,1-5H3,(H,26,30)
InChIKeyOOTMEMBMUIJPNJ-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.91
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide (PubChem CID 24791503) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
PubChem CID24791503
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCn2nc(C)cc2C)cc1
InChIInChI=1S/C24H31N5O2/c1-16-12-17(2)28(27-16)11-10-23(30)26-21-13-24(3,4)14-22-20(21)15-25-29(22)18-6-8-19(31-5)9-7-18/h6-9,12,15,21H,10-11,13-14H2,1-5H3,(H,26,30)
InChIKeyOOTMEMBMUIJPNJ-UHFFFAOYSA-N
XLogP3.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide (CID 24791503) is 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCn2nc(C)cc2C)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide?
The InChIKey is OOTMEMBMUIJPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-16-12-17(2)28(27-16)11-10-23(30)26-21-13-24(3,4)14-22-20(21)15-25-29(22)18-6-8-19(31-5)9-7-18/h6-9,12,15,21H,10-11,13-14H2,1-5H3,(H,26,30).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide has a molecular weight of 421.55 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide is sourced from PubChem (CID 24791503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).