chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine

C7H14Cl2N4O2 — CID 159662836

IUPACchloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine
SMILESCNc1c(N)cnn1CCOC.ClOCl
InChIInChI=1S/C7H14N4O.Cl2O/c1-9-7-6(8)5-10-11(7)3-4-12-2;1-3-2/h5,9H,3-4,8H2,1-2H3;
InChIKeyMTAKAHRPGIVWAG-UHFFFAOYSA-N
MW257.12 g/mol
LogP1.46
Rot. Bonds4

About chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine

chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine (PubChem CID 159662836) has the molecular formula C7H14Cl2N4O2 and a molecular weight of 257.12 g/mol. Its IUPAC name is chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Namechloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine
PubChem CID159662836
Molecular FormulaC7H14Cl2N4O2
Molecular Weight257.12 g/mol
Exact Mass256.05
IUPAC Namechloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine
SMILESCNc1c(N)cnn1CCOC.ClOCl
InChIInChI=1S/C7H14N4O.Cl2O/c1-9-7-6(8)5-10-11(7)3-4-12-2;1-3-2/h5,9H,3-4,8H2,1-2H3;
InChIKeyMTAKAHRPGIVWAG-UHFFFAOYSA-N
XLogP1.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(2-aminoethyl)-1-(3-methoxypropyl)pyrazole-4,5-diamine
CID 58913962
1-(2-methoxyethyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 118365625
2-[4-[2-[4-amino-5-(methylamino)pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
CID 58914000
2-[[4-amino-1-(3-methoxypropyl)pyrazol-5-yl]amino]acetic acid
CID 58913976
2-[4-amino-5-(methylamino)pyrazol-1-yl]acetic acid
CID 58913994
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4,5-dichloro-2-(2-methoxyethyl)pyridazin-3-one
CID 66864935
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036
4-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]pyridin-2-amine
CID 114663333
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
4-chloro-1-(2-methoxyethyl)pyrazole-5-carbaldehyde
CID 114640195
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471

Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine?
The IUPAC name of chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine (CID 159662836) is chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine.
What is the SMILES notation for chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine?
The canonical SMILES for chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine is CNc1c(N)cnn1CCOC.ClOCl.
What is the InChIKey of chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine?
The InChIKey is MTAKAHRPGIVWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O.Cl2O/c1-9-7-6(8)5-10-11(7)3-4-12-2;1-3-2/h5,9H,3-4,8H2,1-2H3;.
What are the key properties of chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine?
chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine has a molecular weight of 257.12 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;1-(2-methoxyethyl)-5-N-methylpyrazole-4,5-diamine is sourced from PubChem (CID 159662836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).