1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine

C9H16N6O — CID 158647054

IUPAC1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine
SMILESCOCCn1ccc(N)n1.Nc1ccn[nH]1
InChIInChI=1S/C6H11N3O.C3H5N3/c1-10-5-4-9-3-2-6(7)8-9;4-3-1-2-5-6-3/h2-3H,4-5H2,1H3,(H2,7,8);1-2H,(H3,4,5,6)
InChIKeyIBCCMQYMLZKEFU-UHFFFAOYSA-N
MW224.27 g/mol
LogP0.10
Rot. Bonds3

About 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine

1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine (PubChem CID 158647054) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine
PubChem CID158647054
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine
SMILESCOCCn1ccc(N)n1.Nc1ccn[nH]1
InChIInChI=1S/C6H11N3O.C3H5N3/c1-10-5-4-9-3-2-6(7)8-9;4-3-1-2-5-6-3/h2-3H,4-5H2,1H3,(H2,7,8);1-2H,(H3,4,5,6)
InChIKeyIBCCMQYMLZKEFU-UHFFFAOYSA-N
XLogP0.10
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-1-(2-methoxyethyl)pyrazole
CID 79788054
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
ethane;1-(2-methoxyethyl)-3-methylpyrazole
CID 153333995
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
CID 63316417
1-[2-(3-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63316335
1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
CID 104706819
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The IUPAC name of 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine (CID 158647054) is 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine.
What is the SMILES notation for 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The canonical SMILES for 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine is COCCn1ccc(N)n1.Nc1ccn[nH]1.
What is the InChIKey of 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine?
The InChIKey is IBCCMQYMLZKEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.C3H5N3/c1-10-5-4-9-3-2-6(7)8-9;4-3-1-2-5-6-3/h2-3H,4-5H2,1H3,(H2,7,8);1-2H,(H3,4,5,6).
What are the key properties of 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine?
1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine has a molecular weight of 224.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine is sourced from PubChem (CID 158647054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).