5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine

C14H13ClN4 — CID 151842688

IUPAC5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
SMILESNCc1ccc(-c2cc3c(N)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C14H13ClN4/c15-12-6-13-11(14(17)19-18-13)5-10(12)9-3-1-8(7-16)2-4-9/h1-6H,7,16H2,(H3,17,18,19)
InChIKeySGZRVQXDRDWDLH-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.92
Rot. Bonds2

About 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine

5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine (PubChem CID 151842688) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
PubChem CID151842688
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine
SMILESNCc1ccc(-c2cc3c(N)n[nH]c3cc2Cl)cc1
InChIInChI=1S/C14H13ClN4/c15-12-6-13-11(14(17)19-18-13)5-10(12)9-3-1-8(7-16)2-4-9/h1-6H,7,16H2,(H3,17,18,19)
InChIKeySGZRVQXDRDWDLH-UHFFFAOYSA-N
XLogP2.92
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-1H-indazol-3-amine
CID 22064647
4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
CID 137123714
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
CID 56709890
4-(3-amino-5-bromo-1H-indazol-6-yl)phenol
CID 135848027
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-1-phenylmethanesulfonamide
CID 11741547
5-[(4-methylphenyl)methyl]-1H-indazol-3-amine
CID 118798890
6-chloro-5-[4-[(1S)-1-methoxyethyl]phenyl]-1H-indazole-3-carboxylic acid
CID 129408540

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine (CID 151842688) is 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine is NCc1ccc(-c2cc3c(N)n[nH]c3cc2Cl)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine?
The InChIKey is SGZRVQXDRDWDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-12-6-13-11(14(17)19-18-13)5-10(12)9-3-1-8(7-16)2-4-9/h1-6H,7,16H2,(H3,17,18,19).
What are the key properties of 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine?
5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine has a molecular weight of 272.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-6-chloro-1H-indazol-3-amine is sourced from PubChem (CID 151842688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).