N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C19H29N5O — CID 46961967

IUPACN,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H29N5O/c1-22(2)12-13-23(15-17-7-3-5-10-20-17)16-18-9-11-21-24(18)19-8-4-6-14-25-19/h3,5,7,9-11,19H,4,6,8,12-16H2,1-2H3
InChIKeyHPTPPJNOBBGRAT-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.54
Rot. Bonds8

About N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 46961967) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID46961967
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H29N5O/c1-22(2)12-13-23(15-17-7-3-5-10-20-17)16-18-9-11-21-24(18)19-8-4-6-14-25-19/h3,5,7,9-11,19H,4,6,8,12-16H2,1-2H3
InChIKeyHPTPPJNOBBGRAT-UHFFFAOYSA-N
XLogP2.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 46961967) is N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1.
What is the InChIKey of N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is HPTPPJNOBBGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-22(2)12-13-23(15-17-7-3-5-10-20-17)16-18-9-11-21-24(18)19-8-4-6-14-25-19/h3,5,7,9-11,19H,4,6,8,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 343.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46961967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).