1-cyclohexyl-3-methoxypyrazole-4,5-diamine

C10H18N4O — CID 66769869

IUPAC1-cyclohexyl-3-methoxypyrazole-4,5-diamine
SMILESCOc1nn(C2CCCCC2)c(N)c1N
InChIInChI=1S/C10H18N4O/c1-15-10-8(11)9(12)14(13-10)7-5-3-2-4-6-7/h7H,2-6,11-12H2,1H3
InChIKeyIDHLLAWLWLPYJJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.56
Rot. Bonds2

About 1-cyclohexyl-3-methoxypyrazole-4,5-diamine

1-cyclohexyl-3-methoxypyrazole-4,5-diamine (PubChem CID 66769869) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-methoxypyrazole-4,5-diamine.

Molecular Properties

Compound Name1-cyclohexyl-3-methoxypyrazole-4,5-diamine
PubChem CID66769869
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-cyclohexyl-3-methoxypyrazole-4,5-diamine
SMILESCOc1nn(C2CCCCC2)c(N)c1N
InChIInChI=1S/C10H18N4O/c1-15-10-8(11)9(12)14(13-10)7-5-3-2-4-6-7/h7H,2-6,11-12H2,1H3
InChIKeyIDHLLAWLWLPYJJ-UHFFFAOYSA-N
XLogP1.56
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methoxypyrazole-4,5-diamine?
The IUPAC name of 1-cyclohexyl-3-methoxypyrazole-4,5-diamine (CID 66769869) is 1-cyclohexyl-3-methoxypyrazole-4,5-diamine.
What is the SMILES notation for 1-cyclohexyl-3-methoxypyrazole-4,5-diamine?
The canonical SMILES for 1-cyclohexyl-3-methoxypyrazole-4,5-diamine is COc1nn(C2CCCCC2)c(N)c1N.
What is the InChIKey of 1-cyclohexyl-3-methoxypyrazole-4,5-diamine?
The InChIKey is IDHLLAWLWLPYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-10-8(11)9(12)14(13-10)7-5-3-2-4-6-7/h7H,2-6,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-methoxypyrazole-4,5-diamine?
1-cyclohexyl-3-methoxypyrazole-4,5-diamine has a molecular weight of 210.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methoxypyrazole-4,5-diamine is sourced from PubChem (CID 66769869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).