5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C16H30N4O — CID 83035200

IUPAC5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1(CC)CC(Nc2c(N)c(C)nn2C(C)C)CCO1
InChIInChI=1S/C16H30N4O/c1-6-16(7-2)10-13(8-9-21-16)18-15-14(17)12(5)19-20(15)11(3)4/h11,13,18H,6-10,17H2,1-5H3
InChIKeyPREALCRASZZLJL-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.50
Rot. Bonds5

About 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 83035200) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID83035200
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCC1(CC)CC(Nc2c(N)c(C)nn2C(C)C)CCO1
InChIInChI=1S/C16H30N4O/c1-6-16(7-2)10-13(8-9-21-16)18-15-14(17)12(5)19-20(15)11(3)4/h11,13,18H,6-10,17H2,1-5H3
InChIKeyPREALCRASZZLJL-UHFFFAOYSA-N
XLogP3.50
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027336
N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106578832
N-(2,2-diethyloxan-4-yl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578814
N-(2,2-diethyloxan-4-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659872
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 82765046
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
6-chloro-N-(2,2-diethyloxan-4-yl)-4,5-dimethylpyridazin-3-amine
CID 83028987
N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154666

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 83035200) is 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCC1(CC)CC(Nc2c(N)c(C)nn2C(C)C)CCO1.
What is the InChIKey of 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PREALCRASZZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-16(7-2)10-13(8-9-21-16)18-15-14(17)12(5)19-20(15)11(3)4/h11,13,18H,6-10,17H2,1-5H3.
What are the key properties of 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-diethyloxan-4-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 83035200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).