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

C16H24N4O — CID 63072151

IUPACN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2c(CNCC(C)C)c(C)nn2C)cn1
InChIInChI=1S/C16H24N4O/c1-11(2)8-17-10-15-13(4)19-20(5)16(15)21-14-7-6-12(3)18-9-14/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyZRECDWRQYVJXDT-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.97
Rot. Bonds6

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

N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63072151) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63072151
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Oc2c(CNCC(C)C)c(C)nn2C)cn1
InChIInChI=1S/C16H24N4O/c1-11(2)8-17-10-15-13(4)19-20(5)16(15)21-14-7-6-12(3)18-9-14/h6-7,9,11,17H,8,10H2,1-5H3
InChIKeyZRECDWRQYVJXDT-UHFFFAOYSA-N
XLogP2.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 63072151) is N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1ccc(Oc2c(CNCC(C)C)c(C)nn2C)cn1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZRECDWRQYVJXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)8-17-10-15-13(4)19-20(5)16(15)21-14-7-6-12(3)18-9-14/h6-7,9,11,17H,8,10H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(6-methyl-3-pyridinyl)oxy]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63072151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).