N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide

C23H31N3O3 — CID 125433046

IUPACN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide
SMILESC=C(C)Cc1c(C)nn(CCC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1C
InChIInChI=1S/C23H31N3O3/c1-14(2)11-18-15(3)25-26(16(18)4)10-9-23(27)24-20-8-7-17-12-21(28-5)22(29-6)13-19(17)20/h12-13,20H,1,7-11H2,2-6H3,(H,24,27)/t20-/m1/s1
InChIKeyJZDBSQYSFAXNNS-HXUWFJFHSA-N
MW397.52 g/mol
LogP3.83
Rot. Bonds8

About N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide (PubChem CID 125433046) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide
PubChem CID125433046
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide
SMILESC=C(C)Cc1c(C)nn(CCC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1C
InChIInChI=1S/C23H31N3O3/c1-14(2)11-18-15(3)25-26(16(18)4)10-9-23(27)24-20-8-7-17-12-21(28-5)22(29-6)13-19(17)20/h12-13,20H,1,7-11H2,2-6H3,(H,24,27)/t20-/m1/s1
InChIKeyJZDBSQYSFAXNNS-HXUWFJFHSA-N
XLogP3.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide (CID 125433046) is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide is C=C(C)Cc1c(C)nn(CCC(=O)N[C@@H]2CCc3cc(OC)c(OC)cc32)c1C.
What is the InChIKey of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide?
The InChIKey is JZDBSQYSFAXNNS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-14(2)11-18-15(3)25-26(16(18)4)10-9-23(27)24-20-8-7-17-12-21(28-5)22(29-6)13-19(17)20/h12-13,20H,1,7-11H2,2-6H3,(H,24,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide?
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 125433046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).