N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine

C15H16N4 — CID 103858286

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
SMILESCc1c(CNc2ccnc3ccccc23)cnn1C
InChIInChI=1S/C15H16N4/c1-11-12(10-18-19(11)2)9-17-15-7-8-16-14-6-4-3-5-13(14)15/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyJDTADADXAMVHML-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine (PubChem CID 103858286) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
PubChem CID103858286
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
SMILESCc1c(CNc2ccnc3ccccc23)cnn1C
InChIInChI=1S/C15H16N4/c1-11-12(10-18-19(11)2)9-17-15-7-8-16-14-6-4-3-5-13(14)15/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyJDTADADXAMVHML-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine (CID 103858286) is N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine is Cc1c(CNc2ccnc3ccccc23)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine?
The InChIKey is JDTADADXAMVHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-12(10-18-19(11)2)9-17-15-7-8-16-14-6-4-3-5-13(14)15/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 103858286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).