5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine

C13H24N4O — CID 66016004

IUPAC5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC)CC2CCCO2)c1N
InChIInChI=1S/C13H24N4O/c1-4-11-12(14)13(16(3)15-11)17(5-2)9-10-7-6-8-18-10/h10H,4-9,14H2,1-3H3
InChIKeyZWXKHPUWXHTTDB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.57
Rot. Bonds5

About 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine

5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66016004) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID66016004
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC)CC2CCCO2)c1N
InChIInChI=1S/C13H24N4O/c1-4-11-12(14)13(16(3)15-11)17(5-2)9-10-7-6-8-18-10/h10H,4-9,14H2,1-3H3
InChIKeyZWXKHPUWXHTTDB-UHFFFAOYSA-N
XLogP1.57
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82702523
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
4-(2-aminobutyl)-N,1,3-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 63817739
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882
5-N,5-N-bis(2-ethoxyethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 82965850
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
N,4-diethyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768558

Frequently Asked Questions

What is the IUPAC name of 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine (CID 66016004) is 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(CC)CC2CCCO2)c1N.
What is the InChIKey of 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is ZWXKHPUWXHTTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-11-12(14)13(16(3)15-11)17(5-2)9-10-7-6-8-18-10/h10H,4-9,14H2,1-3H3.
What are the key properties of 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine?
5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).