1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine

C24H25N3O — CID 71520878

IUPAC1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine
SMILESCOc1ccc(-n2ncc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-6-4-18(5-7-19)15-25-21-8-13-24-20(14-21)16-26-27(24)22-9-11-23(28-3)12-10-22/h4-14,16-17,25H,15H2,1-3H3
InChIKeyCWUVDFCOKNOCNV-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.77
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine (PubChem CID 71520878) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine
PubChem CID71520878
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine
SMILESCOc1ccc(-n2ncc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C24H25N3O/c1-17(2)19-6-4-18(5-7-19)15-25-21-8-13-24-20(14-21)16-26-27(24)22-9-11-23(28-3)12-10-22/h4-14,16-17,25H,15H2,1-3H3
InChIKeyCWUVDFCOKNOCNV-UHFFFAOYSA-N
XLogP5.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510426
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
1-(4-Methoxyphenyl)-3-methylsulfanyl-6-(1,2,3,6-tetrahydropyridin-4-yl)indazole
CID 56677000
1-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]indol-5-amine
CID 71520876
1,6-Bis(4-propan-2-yloxyphenyl)indazole
CID 134179277
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
5-methoxy-2-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
CID 166551339
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
1-[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 16187264
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723549
N-[[1-(4-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 44250105
1-[1-(3-Cyclopentylamino-propyl)-1H-indazol-5-yl]-3-(4-phenoxy-phenyl)-urea
CID 44402329

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine (CID 71520878) is 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine is COc1ccc(-n2ncc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine?
The InChIKey is CWUVDFCOKNOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17(2)19-6-4-18(5-7-19)15-25-21-8-13-24-20(14-21)16-26-27(24)22-9-11-23(28-3)12-10-22/h4-14,16-17,25H,15H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine?
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine has a molecular weight of 371.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine is sourced from PubChem (CID 71520878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).