1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C11H20N4O — CID 115291177

IUPAC1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNCC2CCCO2)cn1
InChIInChI=1S/C11H20N4O/c1-15-8-9(5-14-15)11(12)7-13-6-10-3-2-4-16-10/h5,8,10-11,13H,2-4,6-7,12H2,1H3
InChIKeyPTDCPEQRKCRMNN-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.19
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 115291177) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID115291177
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCn1cc(C(N)CNCC2CCCO2)cn1
InChIInChI=1S/C11H20N4O/c1-15-8-9(5-14-15)11(12)7-13-6-10-3-2-4-16-10/h5,8,10-11,13H,2-4,6-7,12H2,1H3
InChIKeyPTDCPEQRKCRMNN-UHFFFAOYSA-N
XLogP0.19
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
N'-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280088
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113431867
oxolan-2-ylmethyl N-[[1-(hydroxymethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methyl]carbamate
CID 154770120
2-(2-ethylmorpholin-4-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291142
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 115291177) is 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cn1cc(C(N)CNCC2CCCO2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PTDCPEQRKCRMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-8-9(5-14-15)11(12)7-13-6-10-3-2-4-16-10/h5,8,10-11,13H,2-4,6-7,12H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 115291177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).