4,5-diethyl-2-methylpyrazol-3-amine;hydrate

C8H17N3O — CID 47000727

IUPAC4,5-diethyl-2-methylpyrazol-3-amine;hydrate
SMILESCCc1nn(C)c(N)c1CC.O
InChIInChI=1S/C8H15N3.H2O/c1-4-6-7(5-2)10-11(3)8(6)9;/h4-5,9H2,1-3H3;1H2
InChIKeyOZYHDGQTHKWQGD-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.30
Rot. Bonds2

About 4,5-diethyl-2-methylpyrazol-3-amine;hydrate

4,5-diethyl-2-methylpyrazol-3-amine;hydrate (PubChem CID 47000727) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4,5-diethyl-2-methylpyrazol-3-amine;hydrate.

Molecular Properties

Compound Name4,5-diethyl-2-methylpyrazol-3-amine;hydrate
PubChem CID47000727
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4,5-diethyl-2-methylpyrazol-3-amine;hydrate
SMILESCCc1nn(C)c(N)c1CC.O
InChIInChI=1S/C8H15N3.H2O/c1-4-6-7(5-2)10-11(3)8(6)9;/h4-5,9H2,1-3H3;1H2
InChIKeyOZYHDGQTHKWQGD-UHFFFAOYSA-N
XLogP0.30
TPSA75.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-methylpyrazol-3-amine;hydrate?
The IUPAC name of 4,5-diethyl-2-methylpyrazol-3-amine;hydrate (CID 47000727) is 4,5-diethyl-2-methylpyrazol-3-amine;hydrate.
What is the SMILES notation for 4,5-diethyl-2-methylpyrazol-3-amine;hydrate?
The canonical SMILES for 4,5-diethyl-2-methylpyrazol-3-amine;hydrate is CCc1nn(C)c(N)c1CC.O.
What is the InChIKey of 4,5-diethyl-2-methylpyrazol-3-amine;hydrate?
The InChIKey is OZYHDGQTHKWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.H2O/c1-4-6-7(5-2)10-11(3)8(6)9;/h4-5,9H2,1-3H3;1H2.
What are the key properties of 4,5-diethyl-2-methylpyrazol-3-amine;hydrate?
4,5-diethyl-2-methylpyrazol-3-amine;hydrate has a molecular weight of 171.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-methylpyrazol-3-amine;hydrate is sourced from PubChem (CID 47000727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).