1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C17H18N4 — CID 60960570

IUPAC1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C17H18N4/c1-13-6-5-9-16(20-13)12-18-10-15-11-19-21-17(15)14-7-3-2-4-8-14/h2-9,11,18H,10,12H2,1H3,(H,19,21)
InChIKeyRZESQMHVISWVLQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 60960570) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID60960570
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1cccc(CNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C17H18N4/c1-13-6-5-9-16(20-13)12-18-10-15-11-19-21-17(15)14-7-3-2-4-8-14/h2-9,11,18H,10,12H2,1H3,(H,19,21)
InChIKeyRZESQMHVISWVLQ-UHFFFAOYSA-N
XLogP3.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60961241
N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854953
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 62524526
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4213259
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 60960570) is 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1cccc(CNCc2cn[nH]c2-c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is RZESQMHVISWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-6-5-9-16(20-13)12-18-10-15-11-19-21-17(15)14-7-3-2-4-8-14/h2-9,11,18H,10,12H2,1H3,(H,19,21).
What are the key properties of 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60960570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).