6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

C17H18N4 — CID 133313975

IUPAC6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1cccc(NCc2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C17H18N4/c1-14-5-2-8-17(20-14)18-12-15-6-3-7-16(11-15)13-21-10-4-9-19-21/h2-11H,12-13H2,1H3,(H,18,20)
InChIKeyMHVPTHFFSPLULH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.25
Rot. Bonds5

About 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine

6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (PubChem CID 133313975) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
PubChem CID133313975
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
SMILESCc1cccc(NCc2cccc(Cn3cccn3)c2)n1
InChIInChI=1S/C17H18N4/c1-14-5-2-8-17(20-14)18-12-15-6-3-7-16(11-15)13-21-10-4-9-19-21/h2-11H,12-13H2,1H3,(H,18,20)
InChIKeyMHVPTHFFSPLULH-UHFFFAOYSA-N
XLogP3.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine (CID 133313975) is 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is Cc1cccc(NCc2cccc(Cn3cccn3)c2)n1.
What is the InChIKey of 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
The InChIKey is MHVPTHFFSPLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14-5-2-8-17(20-14)18-12-15-6-3-7-16(11-15)13-21-10-4-9-19-21/h2-11H,12-13H2,1H3,(H,18,20).
What are the key properties of 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine?
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 133313975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).