1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine

C13H23N3O — CID 113354083

IUPAC1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
SMILESCc1cc(NC2CC(C)(C)OC2(C)C)nn1C
InChIInChI=1S/C13H23N3O/c1-9-7-11(15-16(9)6)14-10-8-12(2,3)17-13(10,4)5/h7,10H,8H2,1-6H3,(H,14,15)
InChIKeyNKGORSYHAZUCQD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.49
Rot. Bonds2

About 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine

1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine (PubChem CID 113354083) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
PubChem CID113354083
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine
SMILESCc1cc(NC2CC(C)(C)OC2(C)C)nn1C
InChIInChI=1S/C13H23N3O/c1-9-7-11(15-16(9)6)14-10-8-12(2,3)17-13(10,4)5/h7,10H,8H2,1-6H3,(H,14,15)
InChIKeyNKGORSYHAZUCQD-UHFFFAOYSA-N
XLogP2.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine (CID 113354083) is 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine is Cc1cc(NC2CC(C)(C)OC2(C)C)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
The InChIKey is NKGORSYHAZUCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-7-11(15-16(9)6)14-10-8-12(2,3)17-13(10,4)5/h7,10H,8H2,1-6H3,(H,14,15).
What are the key properties of 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine?
1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine has a molecular weight of 237.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 113354083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).