3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide

C20H23N3O2 — CID 11958421

IUPAC3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2c1OC
InChIInChI=1S/C20H23N3O2/c1-4-11-23-20(25-3)17-10-9-16(12-18(17)22-23)19(24)21-13-15-7-5-14(2)6-8-15/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyZEJNUSBFVNAFAG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.69
Rot. Bonds6

About 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide

3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide (PubChem CID 11958421) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
PubChem CID11958421
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2c1OC
InChIInChI=1S/C20H23N3O2/c1-4-11-23-20(25-3)17-10-9-16(12-18(17)22-23)19(24)21-13-15-7-5-14(2)6-8-15/h5-10,12H,4,11,13H2,1-3H3,(H,21,24)
InChIKeyZEJNUSBFVNAFAG-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide?
The IUPAC name of 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide (CID 11958421) is 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCc3ccc(C)cc3)ccc2c1OC.
What is the InChIKey of 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide?
The InChIKey is ZEJNUSBFVNAFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-11-23-20(25-3)17-10-9-16(12-18(17)22-23)19(24)21-13-15-7-5-14(2)6-8-15/h5-10,12H,4,11,13H2,1-3H3,(H,21,24).
What are the key properties of 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide?
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide is sourced from PubChem (CID 11958421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).