4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine

C14H13IN4 — CID 105378748

IUPAC4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine
SMILESCc1ccc2cc(Cn3ncc(I)c3N)ccc2n1
InChIInChI=1S/C14H13IN4/c1-9-2-4-11-6-10(3-5-13(11)18-9)8-19-14(16)12(15)7-17-19/h2-7H,8,16H2,1H3
InChIKeyCOOHBEFXUNJSFL-UHFFFAOYSA-N
MW364.19 g/mol
LogP2.97
Rot. Bonds2

About 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine

4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine (PubChem CID 105378748) has the molecular formula C14H13IN4 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine
PubChem CID105378748
Molecular FormulaC14H13IN4
Molecular Weight364.19 g/mol
Exact Mass364.02
IUPAC Name4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine
SMILESCc1ccc2cc(Cn3ncc(I)c3N)ccc2n1
InChIInChI=1S/C14H13IN4/c1-9-2-4-11-6-10(3-5-13(11)18-9)8-19-14(16)12(15)7-17-19/h2-7H,8,16H2,1H3
InChIKeyCOOHBEFXUNJSFL-UHFFFAOYSA-N
XLogP2.97
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[(2-methylquinolin-6-yl)methyl]imidazol-2-amine
CID 105379231
4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
CID 79235535
(2-methylquinolin-6-yl)methanethiol
CID 105379811
trimethyl-[(2-methylquinolin-6-yl)methyl]silane
CID 134953516
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
4-iodo-3-methyl-1-(quinolin-6-ylmethyl)pyrazol-5-amine
CID 63968075
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120841918
6-(3-bromopropyl)-2-methylquinoline
CID 81221400
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine (CID 105378748) is 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine is Cc1ccc2cc(Cn3ncc(I)c3N)ccc2n1.
What is the InChIKey of 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine?
The InChIKey is COOHBEFXUNJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4/c1-9-2-4-11-6-10(3-5-13(11)18-9)8-19-14(16)12(15)7-17-19/h2-7H,8,16H2,1H3.
What are the key properties of 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine?
4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine has a molecular weight of 364.19 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-[(2-methylquinolin-6-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 105378748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).