N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

C19H31N5 — CID 46954018

IUPACN'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCn1nc(C)c(CN(CCCN(C)C)Cc2ccccn2)c1C
InChIInChI=1S/C19H31N5/c1-6-24-17(3)19(16(2)21-24)15-23(13-9-12-22(4)5)14-18-10-7-8-11-20-18/h7-8,10-11H,6,9,12-15H2,1-5H3
InChIKeyBXPDMCOSVWYEAX-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.87
Rot. Bonds9

About N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 46954018) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID46954018
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCCn1nc(C)c(CN(CCCN(C)C)Cc2ccccn2)c1C
InChIInChI=1S/C19H31N5/c1-6-24-17(3)19(16(2)21-24)15-23(13-9-12-22(4)5)14-18-10-7-8-11-20-18/h7-8,10-11H,6,9,12-15H2,1-5H3
InChIKeyBXPDMCOSVWYEAX-UHFFFAOYSA-N
XLogP2.87
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 46954018) is N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is CCn1nc(C)c(CN(CCCN(C)C)Cc2ccccn2)c1C.
What is the InChIKey of N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is BXPDMCOSVWYEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-6-24-17(3)19(16(2)21-24)15-23(13-9-12-22(4)5)14-18-10-7-8-11-20-18/h7-8,10-11H,6,9,12-15H2,1-5H3.
What are the key properties of N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 329.49 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 46954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).