N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine

C16H17N3 — CID 43743407

IUPACN-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
SMILESCCc1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14-11-18-19-16(14)9-15/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyFZTIOTDNNMXDII-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine

N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine (PubChem CID 43743407) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
PubChem CID43743407
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
SMILESCCc1ccc(CNc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14-11-18-19-16(14)9-15/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyFZTIOTDNNMXDII-UHFFFAOYSA-N
XLogP3.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine (CID 43743407) is N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine is CCc1ccc(CNc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is FZTIOTDNNMXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-12-3-5-13(6-4-12)10-17-15-8-7-14-11-18-19-16(14)9-15/h3-9,11,17H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine?
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 43743407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).