N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine

C17H25N3 — CID 107331506

IUPACN-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(10-12-18-17(2,3)4)16-11-13-19-20(16)15-8-6-5-7-9-15/h5-9,11,13-14,18H,10,12H2,1-4H3
InChIKeyDEMJXLZEKWFIMJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.75
Rot. Bonds5

About N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine

N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine (PubChem CID 107331506) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
PubChem CID107331506
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
SMILESCC(CCNC(C)(C)C)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(10-12-18-17(2,3)4)16-11-13-19-20(16)15-8-6-5-7-9-15/h5-9,11,13-14,18H,10,12H2,1-4H3
InChIKeyDEMJXLZEKWFIMJ-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
CID 107331147
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
N-ethyl-2,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330534
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
N-ethyl-3-methyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107330516
1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
CID 107330721
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine (CID 107331506) is N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine is CC(CCNC(C)(C)C)c1ccnn1-c1ccccc1.
What is the InChIKey of N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine?
The InChIKey is DEMJXLZEKWFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(10-12-18-17(2,3)4)16-11-13-19-20(16)15-8-6-5-7-9-15/h5-9,11,13-14,18H,10,12H2,1-4H3.
What are the key properties of N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine?
N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 107331506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).