2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine

C14H13ClN4 — CID 112617852

IUPAC2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H13ClN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3
InChIKeySFLMTRLQPFDXGI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.02
Rot. Bonds2

About 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine

2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 112617852) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID112617852
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H13ClN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3
InChIKeySFLMTRLQPFDXGI-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromoquinolin-8-yl)methyl]-5-methylpyrazol-3-amine
CID 112617853
1-[(5-chloroquinolin-8-yl)methyl]-4-iodopyrazol-5-amine
CID 112617858
2-[(5-chloroquinolin-8-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 38874534
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
2-[(4-fluoro-2-methylphenyl)methyl]-5-methylpyrazol-3-amine
CID 62136321
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
5-[(5-chloroquinolin-8-yl)methylamino]-2-methylphenol
CID 107699715
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
5-methyl-2-(pyridin-3-ylmethyl)pyrazol-3-amine
CID 3161320
N-[(5-chloroquinolin-8-yl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909212

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine (CID 112617852) is 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is SFLMTRLQPFDXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-7-13(16)19(18-9)8-10-4-5-12(15)11-3-2-6-17-14(10)11/h2-7H,8,16H2,1H3.
What are the key properties of 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine?
2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 272.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 112617852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).