N-(anthracen-9-ylmethyl)-1H-indazol-5-amine

C22H17N3 — CID 784305

IUPACN-(anthracen-9-ylmethyl)-1H-indazol-5-amine
SMILESc1ccc2c(CNc3ccc4[nH]ncc4c3)c3ccccc3cc2c1
InChIInChI=1S/C22H17N3/c1-3-7-19-15(5-1)11-16-6-2-4-8-20(16)21(19)14-23-18-9-10-22-17(12-18)13-24-25-22/h1-13,23H,14H2,(H,24,25)
InChIKeyHYPVRIRNDOZGET-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.48
Rot. Bonds3

About N-(anthracen-9-ylmethyl)-1H-indazol-5-amine

N-(anthracen-9-ylmethyl)-1H-indazol-5-amine (PubChem CID 784305) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-1H-indazol-5-amine
PubChem CID784305
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC NameN-(anthracen-9-ylmethyl)-1H-indazol-5-amine
SMILESc1ccc2c(CNc3ccc4[nH]ncc4c3)c3ccccc3cc2c1
InChIInChI=1S/C22H17N3/c1-3-7-19-15(5-1)11-16-6-2-4-8-20(16)21(19)14-23-18-9-10-22-17(12-18)13-24-25-22/h1-13,23H,14H2,(H,24,25)
InChIKeyHYPVRIRNDOZGET-UHFFFAOYSA-N
XLogP5.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
CID 62699427
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
8-[(1H-indazol-5-ylamino)methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 46958621
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-(1,3-thiazol-4-ylmethyl)-1H-indazol-5-amine
CID 60696868
N-[[3-(difluoromethyl)phenyl]methyl]-1H-indazol-5-amine
CID 115526186

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-1H-indazol-5-amine?
The IUPAC name of N-(anthracen-9-ylmethyl)-1H-indazol-5-amine (CID 784305) is N-(anthracen-9-ylmethyl)-1H-indazol-5-amine.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-1H-indazol-5-amine?
The canonical SMILES for N-(anthracen-9-ylmethyl)-1H-indazol-5-amine is c1ccc2c(CNc3ccc4[nH]ncc4c3)c3ccccc3cc2c1.
What is the InChIKey of N-(anthracen-9-ylmethyl)-1H-indazol-5-amine?
The InChIKey is HYPVRIRNDOZGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-7-19-15(5-1)11-16-6-2-4-8-20(16)21(19)14-23-18-9-10-22-17(12-18)13-24-25-22/h1-13,23H,14H2,(H,24,25).
What are the key properties of N-(anthracen-9-ylmethyl)-1H-indazol-5-amine?
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine has a molecular weight of 323.40 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-1H-indazol-5-amine is sourced from PubChem (CID 784305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).