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

C17H26N4 — CID 62294700

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(CNCC(C)C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H26N4/c1-11(2)9-18-10-16-12(3)7-13(4)19-17(16)21-15(6)8-14(5)20-21/h7-8,11,18H,9-10H2,1-6H3
InChIKeyVODNOTCUEFFFRA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.25
Rot. Bonds5

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

N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62294700) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62294700
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(CNCC(C)C)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H26N4/c1-11(2)9-18-10-16-12(3)7-13(4)19-17(16)21-15(6)8-14(5)20-21/h7-8,11,18H,9-10H2,1-6H3
InChIKeyVODNOTCUEFFFRA-UHFFFAOYSA-N
XLogP3.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62294700) is N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(C)c(CNCC(C)C)c(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is VODNOTCUEFFFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-11(2)9-18-10-16-12(3)7-13(4)19-17(16)21-15(6)8-14(5)20-21/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).