1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine

C14H25N3O — CID 79928054

IUPAC1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine
SMILESCC(C)n1cc(NC2CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-10(2)17-9-11(8-15-17)16-12-7-13(3,4)18-14(12,5)6/h8-10,12,16H,7H2,1-6H3
InChIKeyLKUXROGQZFOMGG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.22
Rot. Bonds3

About 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine

1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine (PubChem CID 79928054) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine
PubChem CID79928054
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine
SMILESCC(C)n1cc(NC2CC(C)(C)OC2(C)C)cn1
InChIInChI=1S/C14H25N3O/c1-10(2)17-9-11(8-15-17)16-12-7-13(3,4)18-14(12,5)6/h8-10,12,16H,7H2,1-6H3
InChIKeyLKUXROGQZFOMGG-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 62903541
1-propan-2-yl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103561898
1-N-(1-propan-2-ylpyrazol-4-yl)cyclobutane-1,3-diamine
CID 80562201
1-propan-2-yl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrazol-4-amine
CID 115400788
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 63271073
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-propan-2-ylpyrazol-4-amine
CID 64864995
3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461381
N-(2,5-dimethylcyclohexyl)-1-propan-2-ylpyrazol-4-amine
CID 64761922
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
N-(4-tert-butylcycloheptyl)-1-propan-2-ylpyrazol-4-amine
CID 65089406
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
CID 133439566
N-(3-methylbutyl)-1-propan-2-ylpyrazol-4-amine
CID 62903175

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine (CID 79928054) is 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine is CC(C)n1cc(NC2CC(C)(C)OC2(C)C)cn1.
What is the InChIKey of 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine?
The InChIKey is LKUXROGQZFOMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)17-9-11(8-15-17)16-12-7-13(3,4)18-14(12,5)6/h8-10,12,16H,7H2,1-6H3.
What are the key properties of 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine?
1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyrazol-4-amine is sourced from PubChem (CID 79928054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).