1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

C16H18N4 — CID 78921551

IUPAC1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccn(C)n2)c2ccccc2n1
InChIInChI=1S/C16H18N4/c1-12-9-13(15-5-3-4-6-16(15)18-12)10-17-11-14-7-8-20(2)19-14/h3-9,17H,10-11H2,1-2H3
InChIKeyUWIMVNBDZIOFRC-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.57
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine

1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (PubChem CID 78921551) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
PubChem CID78921551
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
SMILESCc1cc(CNCc2ccn(C)n2)c2ccccc2n1
InChIInChI=1S/C16H18N4/c1-12-9-13(15-5-3-4-6-16(15)18-12)10-17-11-14-7-8-20(2)19-14/h3-9,17H,10-11H2,1-2H3
InChIKeyUWIMVNBDZIOFRC-UHFFFAOYSA-N
XLogP2.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 115767728
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78923351
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
1-(3-chlorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978652
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
N-[(2-ethoxyphenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78921714
2-cyclopropyl-N-[(2-methylquinolin-4-yl)methyl]ethanamine
CID 79033204
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine (CID 78921551) is 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is Cc1cc(CNCc2ccn(C)n2)c2ccccc2n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
The InChIKey is UWIMVNBDZIOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-9-13(15-5-3-4-6-16(15)18-12)10-17-11-14-7-8-20(2)19-14/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine?
1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-[(2-methylquinolin-4-yl)methyl]methanamine is sourced from PubChem (CID 78921551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).