1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

C12H22N4O — CID 82734604

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)N(C)C2CCOC2)cnn1C
InChIInChI=1S/C12H22N4O/c1-9-11(7-14-16(9)3)12(6-13)15(2)10-4-5-17-8-10/h7,10,12H,4-6,8,13H2,1-3H3
InChIKeyCOCNEGALRCGOIT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.45
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82734604) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82734604
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)N(C)C2CCOC2)cnn1C
InChIInChI=1S/C12H22N4O/c1-9-11(7-14-16(9)3)12(6-13)15(2)10-4-5-17-8-10/h7,10,12H,4-6,8,13H2,1-3H3
InChIKeyCOCNEGALRCGOIT-UHFFFAOYSA-N
XLogP0.45
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 79578592
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 79578846
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 79579449
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82734256
1-(2-bromo-4-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 114059969
1-(2-bromo-4-chlorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733997
[(1,5-dimethylpyrazol-4-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306569
1-(5-bromothiophen-2-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82732855
1-(1,5-dimethylpyrazol-4-yl)-N-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 79584531
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 79579452
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82735293

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine (CID 82734604) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is Cc1c(C(CN)N(C)C2CCOC2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is COCNEGALRCGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(7-14-16(9)3)12(6-13)15(2)10-4-5-17-8-10/h7,10,12H,4-6,8,13H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).