N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine

C12H10ClN3S — CID 43730787

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
SMILESClc1ccc(CNc2cccc3cn[nH]c23)s1
InChIInChI=1S/C12H10ClN3S/c13-11-5-4-9(17-11)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7H2,(H,15,16)
InChIKeyLSORRXRIKYNWAG-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.89
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine

N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine (PubChem CID 43730787) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
PubChem CID43730787
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine
SMILESClc1ccc(CNc2cccc3cn[nH]c23)s1
InChIInChI=1S/C12H10ClN3S/c13-11-5-4-9(17-11)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7H2,(H,15,16)
InChIKeyLSORRXRIKYNWAG-UHFFFAOYSA-N
XLogP3.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1H-indazol-7-amine
CID 43730923
N-[(3-chloro-2-fluorophenyl)methyl]-1H-indazol-7-amine
CID 114487412
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indazol-7-amine
CID 81145361
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 66387358
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1H-indazol-7-amine
CID 43730940
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine
CID 43788162
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
CID 43731054
N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
CID 43788098
N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
CID 66411940

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine (CID 43730787) is N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine is Clc1ccc(CNc2cccc3cn[nH]c23)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine?
The InChIKey is LSORRXRIKYNWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-11-5-4-9(17-11)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7H2,(H,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine has a molecular weight of 263.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43730787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).