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

C23H29N5O — CID 42287055

IUPACN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2nccc2C)cc1
InChIInChI=1S/C23H29N5O/c1-16-5-7-18(8-6-16)28-21-14-23(3,4)13-20(19(21)15-25-28)26-22(29)10-12-27-17(2)9-11-24-27/h5-9,11,15,20H,10,12-14H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyJNXFJCCABNAUKL-FQEVSTJZSA-N
MW391.52 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 42287055) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID42287055
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2nccc2C)cc1
InChIInChI=1S/C23H29N5O/c1-16-5-7-18(8-6-16)28-21-14-23(3,4)13-20(19(21)15-25-28)26-22(29)10-12-27-17(2)9-11-24-27/h5-9,11,15,20H,10,12-14H2,1-4H3,(H,26,29)/t20-/m0/s1
InChIKeyJNXFJCCABNAUKL-FQEVSTJZSA-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-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide (CID 42287055) is N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCn2nccc2C)cc1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is JNXFJCCABNAUKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-5-7-18(8-6-16)28-21-14-23(3,4)13-20(19(21)15-25-28)26-22(29)10-12-27-17(2)9-11-24-27/h5-9,11,15,20H,10,12-14H2,1-4H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-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-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 42287055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).