5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride

C12H16Cl2N4 — CID 3079216

IUPAC5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride
SMILESCN1CCN(c2n[nH]c3ccc(Cl)cc23)CC1.Cl
InChIInChI=1S/C12H15ClN4.ClH/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15);1H
InChIKeyLPRPQPKSTMZCOM-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.39
Rot. Bonds1

About 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride

5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride (PubChem CID 3079216) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride
PubChem CID3079216
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC Name5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride
SMILESCN1CCN(c2n[nH]c3ccc(Cl)cc23)CC1.Cl
InChIInChI=1S/C12H15ClN4.ClH/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15);1H
InChIKeyLPRPQPKSTMZCOM-UHFFFAOYSA-N
XLogP2.39
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-chlorophenyl)-1H-indazol-3-amine
CID 24987277
N-(3-chlorophenyl)-1H-indazol-3-amine
CID 25096270
N-(1-(3,4-dimethylbenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405431
N-(1-(4-chlorobenzyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405459
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405477
5-chloro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)-1H-indazol-3-amine
CID 44405518
N-(1-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)piperidin-4-yl)-5-chloro-1H-indazol-3-amine
CID 44405570
N-(2-aminoethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-amine
CID 44443790
N-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-amine
CID 44443791
N-((1-benzylpiperidin-4-yl)methyl)-1H-indazol-3-amine
CID 46889747
7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
CID 50994259
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
CID 53324489

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride?
The IUPAC name of 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride (CID 3079216) is 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride.
What is the SMILES notation for 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride?
The canonical SMILES for 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride is CN1CCN(c2n[nH]c3ccc(Cl)cc23)CC1.Cl.
What is the InChIKey of 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride?
The InChIKey is LPRPQPKSTMZCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4.ClH/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15);1H.
What are the key properties of 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride?
5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride has a molecular weight of 287.19 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole;hydrochloride is sourced from PubChem (CID 3079216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).