1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine

C12H22N4O — CID 66017732

IUPAC1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCCOC2)c1N
InChIInChI=1S/C12H22N4O/c1-3-5-10-11(13)12(16(2)15-10)14-9-6-4-7-17-8-9/h9,14H,3-8,13H2,1-2H3
InChIKeyVOKZNGUFOCMGNE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds4

About 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine

1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine (PubChem CID 66017732) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
PubChem CID66017732
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(NC2CCCOC2)c1N
InChIInChI=1S/C12H22N4O/c1-3-5-10-11(13)12(16(2)15-10)14-9-6-4-7-17-8-9/h9,14H,3-8,13H2,1-2H3
InChIKeyVOKZNGUFOCMGNE-UHFFFAOYSA-N
XLogP1.55
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cycloheptyl-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017100
1-methyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019813
5-N-(1,1-dioxothiolan-3-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018055
1-methyl-3-propyl-5-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4,5-diamine
CID 79353358
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882
5-N,1-dimethyl-5-N-(oxan-3-ylmethyl)-3-propylpyrazole-4,5-diamine
CID 66017153
3-ethyl-1-methyl-N-(oxan-3-yl)pyrazol-5-amine
CID 115927871
3-ethyl-1-methyl-5-N-(1-methylpiperidin-3-yl)pyrazole-4,5-diamine
CID 66014594
5-N-(4,4-dimethylcyclohexyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014444
5-N-(2-cyclohexyloxyethyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66017735
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-ethylpropane-1,3-diol
CID 107864540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine (CID 66017732) is 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(NC2CCCOC2)c1N.
What is the InChIKey of 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine?
The InChIKey is VOKZNGUFOCMGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-10-11(13)12(16(2)15-10)14-9-6-4-7-17-8-9/h9,14H,3-8,13H2,1-2H3.
What are the key properties of 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine?
1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(oxan-3-yl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).