5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine

C11H19N3O — CID 115735766

IUPAC5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC2CCOCC2)c1C
InChIInChI=1S/C11H19N3O/c1-3-10-8(2)11(14-13-10)12-9-4-6-15-7-5-9/h9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyDMMVSMCLPFJFRX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds3

About 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine

5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine (PubChem CID 115735766) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
PubChem CID115735766
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(NC2CCOCC2)c1C
InChIInChI=1S/C11H19N3O/c1-3-10-8(2)11(14-13-10)12-9-4-6-15-7-5-9/h9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyDMMVSMCLPFJFRX-UHFFFAOYSA-N
XLogP1.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697915
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea
CID 167991927
3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
CID 171384521
5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride
CID 67008553
N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 114698094
N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
5-ethyl-N-(2-ethylbutyl)-4-methyl-1H-pyrazol-3-amine
CID 115757165
3,5-dichloro-6-N-(oxan-4-yl)-2-N-propylpyridine-2,6-diamine
CID 102756272
4-(chloromethyl)-5-ethyl-3-(oxan-4-yl)-1H-pyrazole
CID 121212828

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine (CID 115735766) is 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine is CCc1[nH]nc(NC2CCOCC2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine?
The InChIKey is DMMVSMCLPFJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-10-8(2)11(14-13-10)12-9-4-6-15-7-5-9/h9H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine?
5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine has a molecular weight of 209.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115735766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).