N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine

C17H27N5 — CID 118122192

IUPACN-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C17H27N5/c1-6-9-21(4)12-15-11-19-20-17(15)14-7-8-16(18-10-14)22(5)13(2)3/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,19,20)
InChIKeyIESFYGOSSIGXJU-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.16
Rot. Bonds7

About N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine

N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine (PubChem CID 118122192) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine
PubChem CID118122192
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1
InChIInChI=1S/C17H27N5/c1-6-9-21(4)12-15-11-19-20-17(15)14-7-8-16(18-10-14)22(5)13(2)3/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,19,20)
InChIKeyIESFYGOSSIGXJU-UHFFFAOYSA-N
XLogP3.16
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine (CID 118122192) is N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine is CCCN(C)Cc1cn[nH]c1-c1ccc(N(C)C(C)C)nc1.
What is the InChIKey of N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine?
The InChIKey is IESFYGOSSIGXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-6-9-21(4)12-15-11-19-20-17(15)14-7-8-16(18-10-14)22(5)13(2)3/h7-8,10-11,13H,6,9,12H2,1-5H3,(H,19,20).
What are the key properties of N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine?
N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 118122192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).