N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

C18H20N4 — CID 95857700

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCn1cc(CN(Cc2ccccc2)Cc2ccccn2)cn1
InChIInChI=1S/C18H20N4/c1-21-12-17(11-20-21)14-22(13-16-7-3-2-4-8-16)15-18-9-5-6-10-19-18/h2-12H,13-15H2,1H3
InChIKeyFREHWLOUJHZMSG-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.02
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine

N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 95857700) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID95857700
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
SMILESCn1cc(CN(Cc2ccccc2)Cc2ccccn2)cn1
InChIInChI=1S/C18H20N4/c1-21-12-17(11-20-21)14-22(13-16-7-3-2-4-8-16)15-18-9-5-6-10-19-18/h2-12H,13-15H2,1H3
InChIKeyFREHWLOUJHZMSG-UHFFFAOYSA-N
XLogP3.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine (CID 95857700) is N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is Cn1cc(CN(Cc2ccccc2)Cc2ccccn2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is FREHWLOUJHZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-21-12-17(11-20-21)14-22(13-16-7-3-2-4-8-16)15-18-9-5-6-10-19-18/h2-12H,13-15H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine?
N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 95857700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).