N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine

C17H18N4 — CID 105146116

IUPACN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H18N4/c1-13-8-9-14(12-19-13)17(18-2)16-10-11-21(20-16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3
InChIKeyLCJMOTHAPGBSJY-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.88
Rot. Bonds4

About N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine

N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 105146116) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine
PubChem CID105146116
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccc(C)nc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H18N4/c1-13-8-9-14(12-19-13)17(18-2)16-10-11-21(20-16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3
InChIKeyLCJMOTHAPGBSJY-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.88
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-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine (CID 105146116) is N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine is CNC(c1ccc(C)nc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is LCJMOTHAPGBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-8-9-14(12-19-13)17(18-2)16-10-11-21(20-16)15-6-4-3-5-7-15/h3-12,17-18H,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine?
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105146116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).