N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine

C17H18N4 — CID 56883288

IUPACN-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cccnc1
InChIInChI=1S/C17H18N4/c1-20(14-16-4-2-9-18-12-16)13-15-5-7-17(8-6-15)21-11-3-10-19-21/h2-12H,13-14H2,1H3
InChIKeyGKCGCFBFAACVDT-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine

N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 56883288) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID56883288
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN(Cc1ccc(-n2cccn2)cc1)Cc1cccnc1
InChIInChI=1S/C17H18N4/c1-20(14-16-4-2-9-18-12-16)13-15-5-7-17(8-6-15)21-11-3-10-19-21/h2-12H,13-14H2,1H3
InChIKeyGKCGCFBFAACVDT-UHFFFAOYSA-N
XLogP2.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 34898028
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 70756938
N-methyl-3-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 56915637
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111864062
CID 174532487
CID 174532487
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
2-[[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-1H-quinolin-4-one
CID 77082791
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
N-benzyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1-pyridin-3-ylprop-2-ene-1-sulfonamide
CID 174403395
N-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-pyrazol-1-ylphenyl)methanamine
CID 25380749

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine (CID 56883288) is N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine is CN(Cc1ccc(-n2cccn2)cc1)Cc1cccnc1.
What is the InChIKey of N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is GKCGCFBFAACVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-20(14-16-4-2-9-18-12-16)13-15-5-7-17(8-6-15)21-11-3-10-19-21/h2-12H,13-14H2,1H3.
What are the key properties of N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 278.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 56883288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).