N-benzyl-1H-indazol-7-amine

C14H13N3 — CID 43730923

IUPACN-benzyl-1H-indazol-7-amine
SMILESc1ccc(CNc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C14H13N3/c1-2-5-11(6-3-1)9-15-13-8-4-7-12-10-16-17-14(12)13/h1-8,10,15H,9H2,(H,16,17)
InChIKeyHAXVYONICVXJQH-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds3

About N-benzyl-1H-indazol-7-amine

N-benzyl-1H-indazol-7-amine (PubChem CID 43730923) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-benzyl-1H-indazol-7-amine.

Molecular Properties

Compound NameN-benzyl-1H-indazol-7-amine
PubChem CID43730923
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-benzyl-1H-indazol-7-amine
SMILESc1ccc(CNc2cccc3cn[nH]c23)cc1
InChIInChI=1S/C14H13N3/c1-2-5-11(6-3-1)9-15-13-8-4-7-12-10-16-17-14(12)13/h1-8,10,15H,9H2,(H,16,17)
InChIKeyHAXVYONICVXJQH-UHFFFAOYSA-N
XLogP3.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
CID 81145361
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431
N-(2-methylpropyl)-1H-indazol-7-amine
CID 43730878
N-[(3-chloro-4-methoxyphenyl)methyl]-1H-indazol-7-amine
CID 65021798
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 43730787
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
CID 43730919
N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
CID 66411940
N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 66387358
N-(2-ethylbutyl)-1H-indazol-7-amine
CID 43730884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indazol-7-amine?
The IUPAC name of N-benzyl-1H-indazol-7-amine (CID 43730923) is N-benzyl-1H-indazol-7-amine.
What is the SMILES notation for N-benzyl-1H-indazol-7-amine?
The canonical SMILES for N-benzyl-1H-indazol-7-amine is c1ccc(CNc2cccc3cn[nH]c23)cc1.
What is the InChIKey of N-benzyl-1H-indazol-7-amine?
The InChIKey is HAXVYONICVXJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-5-11(6-3-1)9-15-13-8-4-7-12-10-16-17-14(12)13/h1-8,10,15H,9H2,(H,16,17).
What are the key properties of N-benzyl-1H-indazol-7-amine?
N-benzyl-1H-indazol-7-amine has a molecular weight of 223.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indazol-7-amine is sourced from PubChem (CID 43730923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).