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

C23H29N5O — CID 24817763

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1
InChIInChI=1S/C23H29N5O/c1-16-7-5-6-8-20(16)28-21-14-23(3,4)13-19(18(21)15-24-28)25-22(29)10-12-27-11-9-17(2)26-27/h5-9,11,15,19H,10,12-14H2,1-4H3,(H,25,29)
InChIKeyODJGNPAVGZEHHZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.91
Rot. Bonds5

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

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 24817763) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID24817763
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1
InChIInChI=1S/C23H29N5O/c1-16-7-5-6-8-20(16)28-21-14-23(3,4)13-19(18(21)15-24-28)25-22(29)10-12-27-11-9-17(2)26-27/h5-9,11,15,19H,10,12-14H2,1-4H3,(H,25,29)
InChIKeyODJGNPAVGZEHHZ-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide (CID 24817763) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is ODJGNPAVGZEHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-7-5-6-8-20(16)28-21-14-23(3,4)13-19(18(21)15-24-28)25-22(29)10-12-27-11-9-17(2)26-27/h5-9,11,15,19H,10,12-14H2,1-4H3,(H,25,29).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 3.91, 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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 24817763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).