1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

C18H20N4 — CID 47610762

IUPAC1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C18H20N4/c1-14-3-5-15(6-4-14)11-20-12-17-13-22(2)21-18(17)16-7-9-19-10-8-16/h3-10,13,20H,11-12H2,1-2H3
InChIKeyPKPBNQBUXYSPKM-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 47610762) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID47610762
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1
InChIInChI=1S/C18H20N4/c1-14-3-5-15(6-4-14)11-20-12-17-13-22(2)21-18(17)16-7-9-19-10-8-16/h3-10,13,20H,11-12H2,1-2H3
InChIKeyPKPBNQBUXYSPKM-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
CID 47613149
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 47611796
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
CID 119123580
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096752
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 71913521
1-[4-[2-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]ethyl]piperazin-1-yl]ethanone
CID 56819805
2,5-dimethyl-1-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449405

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (CID 47610762) is 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is Cc1ccc(CNCc2cn(C)nc2-c2ccncc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is PKPBNQBUXYSPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-3-5-15(6-4-14)11-20-12-17-13-22(2)21-18(17)16-7-9-19-10-8-16/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47610762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).