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

C23H29N5O — CID 24794171

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cnn(C)c2)cc1
InChIInChI=1S/C23H29N5O/c1-16-5-8-18(9-6-16)28-21-12-23(2,3)11-20(19(21)14-25-28)26-22(29)10-7-17-13-24-27(4)15-17/h5-6,8-9,13-15,20H,7,10-12H2,1-4H3,(H,26,29)
InChIKeyXDKSKIRBXDXWDY-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.68
Rot. Bonds5

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

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 24794171) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID24794171
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cnn(C)c2)cc1
InChIInChI=1S/C23H29N5O/c1-16-5-8-18(9-6-16)28-21-12-23(2,3)11-20(19(21)14-25-28)26-22(29)10-7-17-13-24-27(4)15-17/h5-6,8-9,13-15,20H,7,10-12H2,1-4H3,(H,26,29)
InChIKeyXDKSKIRBXDXWDY-UHFFFAOYSA-N
XLogP3.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 24794171) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cnn(C)c2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is XDKSKIRBXDXWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-5-8-18(9-6-16)28-21-12-23(2,3)11-20(19(21)14-25-28)26-22(29)10-7-17-13-24-27(4)15-17/h5-6,8-9,13-15,20H,7,10-12H2,1-4H3,(H,26,29).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24794171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).