N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline

C18H20N4 — CID 101492197

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-16(10-8-13)19-12-17-5-4-6-18(20-17)22-15(3)11-14(2)21-22/h4-11,19H,12H2,1-3H3
InChIKeyIXQATGGUMMUTFH-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.80
Rot. Bonds4

About N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline

N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline (PubChem CID 101492197) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline
PubChem CID101492197
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-16(10-8-13)19-12-17-5-4-6-18(20-17)22-15(3)11-14(2)21-22/h4-11,19H,12H2,1-3H3
InChIKeyIXQATGGUMMUTFH-UHFFFAOYSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline (CID 101492197) is N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline is Cc1ccc(NCc2cccc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline?
The InChIKey is IXQATGGUMMUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-7-9-16(10-8-13)19-12-17-5-4-6-18(20-17)22-15(3)11-14(2)21-22/h4-11,19H,12H2,1-3H3.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline?
N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline has a molecular weight of 292.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline is sourced from PubChem (CID 101492197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).