N-benzyl-5-chloro-1H-indazol-3-amine

C14H12ClN3 — CID 142275552

IUPACN-benzyl-5-chloro-1H-indazol-3-amine
SMILESClc1ccc2[nH]nc(NCc3ccccc3)c2c1
InChIInChI=1S/C14H12ClN3/c15-11-6-7-13-12(8-11)14(18-17-13)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17,18)
InChIKeyQQKSYZIGOMRVAD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.83
Rot. Bonds3

About N-benzyl-5-chloro-1H-indazol-3-amine

N-benzyl-5-chloro-1H-indazol-3-amine (PubChem CID 142275552) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-benzyl-5-chloro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-1H-indazol-3-amine
PubChem CID142275552
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC NameN-benzyl-5-chloro-1H-indazol-3-amine
SMILESClc1ccc2[nH]nc(NCc3ccccc3)c2c1
InChIInChI=1S/C14H12ClN3/c15-11-6-7-13-12(8-11)14(18-17-13)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17,18)
InChIKeyQQKSYZIGOMRVAD-UHFFFAOYSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-5-nitro-1H-indazol-3-amine
CID 22567151
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
N-benzyl-6-chloro-2-(2-fluorophenyl)quinazolin-4-amine
CID 59213559
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine
CID 10091517
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 70352726
N-benzyl-8-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3749039
N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 166629921
[2-(benzylamino)-3-pyridinyl]-(6-chloro-1H-indol-3-yl)methanone
CID 118038327
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
N-benzyl-5-chloropyridin-3-amine
CID 146273772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-1H-indazol-3-amine?
The IUPAC name of N-benzyl-5-chloro-1H-indazol-3-amine (CID 142275552) is N-benzyl-5-chloro-1H-indazol-3-amine.
What is the SMILES notation for N-benzyl-5-chloro-1H-indazol-3-amine?
The canonical SMILES for N-benzyl-5-chloro-1H-indazol-3-amine is Clc1ccc2[nH]nc(NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-5-chloro-1H-indazol-3-amine?
The InChIKey is QQKSYZIGOMRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-11-6-7-13-12(8-11)14(18-17-13)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,17,18).
What are the key properties of N-benzyl-5-chloro-1H-indazol-3-amine?
N-benzyl-5-chloro-1H-indazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-1H-indazol-3-amine is sourced from PubChem (CID 142275552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).