N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine

C18H21N3 — CID 43231004

IUPACN-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
SMILESCC(C)(C)c1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H21N3/c1-18(2,3)15-6-4-13(5-7-15)11-19-16-8-9-17-14(10-16)12-20-21-17/h4-10,12,19H,11H2,1-3H3,(H,20,21)
InChIKeyYXFRXGNIPUNGQE-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.47
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine

N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 43231004) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
PubChem CID43231004
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
SMILESCC(C)(C)c1ccc(CNc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C18H21N3/c1-18(2,3)15-6-4-13(5-7-15)11-19-16-8-9-17-14(10-16)12-20-21-17/h4-10,12,19H,11H2,1-3H3,(H,20,21)
InChIKeyYXFRXGNIPUNGQE-UHFFFAOYSA-N
XLogP4.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine (CID 43231004) is N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine is CC(C)(C)c1ccc(CNc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is YXFRXGNIPUNGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-18(2,3)15-6-4-13(5-7-15)11-19-16-8-9-17-14(10-16)12-20-21-17/h4-10,12,19H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine?
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 43231004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).