2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile

C18H17N5 — CID 118760641

IUPAC2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile
SMILESCN(Cc1cc(C#N)ccn1)Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17N5/c1-23(12-16-9-14(11-19)7-8-20-16)13-17-10-18(22-21-17)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,21,22)
InChIKeyVYVMZIKSRJDDTC-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.98
Rot. Bonds5

About 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile

2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile (PubChem CID 118760641) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile
PubChem CID118760641
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile
SMILESCN(Cc1cc(C#N)ccn1)Cc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17N5/c1-23(12-16-9-14(11-19)7-8-20-16)13-17-10-18(22-21-17)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,21,22)
InChIKeyVYVMZIKSRJDDTC-UHFFFAOYSA-N
XLogP2.98
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile (CID 118760641) is 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile is CN(Cc1cc(C#N)ccn1)Cc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile?
The InChIKey is VYVMZIKSRJDDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-23(12-16-9-14(11-19)7-8-20-16)13-17-10-18(22-21-17)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile?
2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 118760641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).