N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine

C17H18N4 — CID 106907449

IUPACN-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C17H18N4/c1-18-11-16-8-5-9-17(20-16)13-21-12-15(10-19-21)14-6-3-2-4-7-14/h2-10,12,18H,11,13H2,1H3
InChIKeyCPBLGHUMNHKCHQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine

N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 106907449) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID106907449
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C17H18N4/c1-18-11-16-8-5-9-17(20-16)13-21-12-15(10-19-21)14-6-3-2-4-7-14/h2-10,12,18H,11,13H2,1H3
InChIKeyCPBLGHUMNHKCHQ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 106907449) is N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine is CNCc1cccc(Cn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is CPBLGHUMNHKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-18-11-16-8-5-9-17(20-16)13-21-12-15(10-19-21)14-6-3-2-4-7-14/h2-10,12,18H,11,13H2,1H3.
What are the key properties of N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).