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

C14H13IN4 — CID 79235535

IUPAC4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
SMILESCc1cc(Cn2ncc(I)c2N)c2ccccc2n1
InChIInChI=1S/C14H13IN4/c1-9-6-10(8-19-14(16)12(15)7-17-19)11-4-2-3-5-13(11)18-9/h2-7H,8,16H2,1H3
InChIKeyQTVUUYMZFBFLBG-UHFFFAOYSA-N
MW364.19 g/mol
LogP2.97
Rot. Bonds2

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

4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine (PubChem CID 79235535) has the molecular formula C14H13IN4 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
PubChem CID79235535
Molecular FormulaC14H13IN4
Molecular Weight364.19 g/mol
Exact Mass364.02
IUPAC Name4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine
SMILESCc1cc(Cn2ncc(I)c2N)c2ccccc2n1
InChIInChI=1S/C14H13IN4/c1-9-6-10(8-19-14(16)12(15)7-17-19)11-4-2-3-5-13(11)18-9/h2-7H,8,16H2,1H3
InChIKeyQTVUUYMZFBFLBG-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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine?
The IUPAC name of 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine (CID 79235535) is 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine is Cc1cc(Cn2ncc(I)c2N)c2ccccc2n1.
What is the InChIKey of 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine?
The InChIKey is QTVUUYMZFBFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN4/c1-9-6-10(8-19-14(16)12(15)7-17-19)11-4-2-3-5-13(11)18-9/h2-7H,8,16H2,1H3.
What are the key properties of 4-iodo-1-[(2-methylquinolin-4-yl)methyl]pyrazol-5-amine?
4-iodo-1-[(2-methylquinolin-4-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-4-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 79235535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).