2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine

C16H25N5 — CID 47610538

IUPAC2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C16H25N5/c1-16(2,20(3)4)12-18-10-14-11-21(5)19-15(14)13-7-6-8-17-9-13/h6-9,11,18H,10,12H2,1-5H3
InChIKeyNBAMSYLCIAIZND-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.91
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 47610538) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine
PubChem CID47610538
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C16H25N5/c1-16(2,20(3)4)12-18-10-14-11-21(5)19-15(14)13-7-6-8-17-9-13/h6-9,11,18H,10,12H2,1-5H3
InChIKeyNBAMSYLCIAIZND-UHFFFAOYSA-N
XLogP1.91
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine (CID 47610538) is 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine is CN(C)C(C)(C)CNCc1cn(C)nc1-c1cccnc1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is NBAMSYLCIAIZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,20(3)4)12-18-10-14-11-21(5)19-15(14)13-7-6-8-17-9-13/h6-9,11,18H,10,12H2,1-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 47610538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).