N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine

C18H24N6 — CID 54753666

IUPACN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cc(C)n(CN(Cc2ccccn2)Cn2nc(C)cc2C)n1
InChIInChI=1S/C18H24N6/c1-14-9-16(3)23(20-14)12-22(11-18-7-5-6-8-19-18)13-24-17(4)10-15(2)21-24/h5-10H,11-13H2,1-4H3
InChIKeyVOXXNKOYHVBSBT-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds6

About N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 54753666) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID54753666
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1cc(C)n(CN(Cc2ccccn2)Cn2nc(C)cc2C)n1
InChIInChI=1S/C18H24N6/c1-14-9-16(3)23(20-14)12-22(11-18-7-5-6-8-19-18)13-24-17(4)10-15(2)21-24/h5-10H,11-13H2,1-4H3
InChIKeyVOXXNKOYHVBSBT-UHFFFAOYSA-N
XLogP2.83
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CID 676764
2-{2-[4-(1-tert-butyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}pyridine
CID 50978449
2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2,6-Di(1-pyrazolyl)pyridine
CID 11816656
1-(pyridin-2-ylmethyl)-1H-pyrazol-4-amine
CID 28373959
N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
CID 10753707
2-(5-methyl-1H-pyrazol-1-yl)pyridine
CID 58975469
1-[(1-Methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
CID 29257990
1-(3-Pyrazol-1-ylpropyl)-3-(1-pyridin-2-ylethyl)urea
CID 45826614
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 46954018

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine (CID 54753666) is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1cc(C)n(CN(Cc2ccccn2)Cn2nc(C)cc2C)n1.
What is the InChIKey of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is VOXXNKOYHVBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-9-16(3)23(20-14)12-22(11-18-7-5-6-8-19-18)13-24-17(4)10-15(2)21-24/h5-10H,11-13H2,1-4H3.
What are the key properties of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 324.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 54753666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).