2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine

C18H25N3 — CID 104989817

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CC2c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-3-13(2)21-10-9-15(20-21)11-18(19)17-12-16(17)14-7-5-4-6-8-14/h4-10,13,16-18H,3,11-12,19H2,1-2H3
InChIKeyAIBDAEJJIRKJND-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.53
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine (PubChem CID 104989817) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine
PubChem CID104989817
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine
SMILESCCC(C)n1ccc(CC(N)C2CC2c2ccccc2)n1
InChIInChI=1S/C18H25N3/c1-3-13(2)21-10-9-15(20-21)11-18(19)17-12-16(17)14-7-5-4-6-8-14/h4-10,13,16-18H,3,11-12,19H2,1-2H3
InChIKeyAIBDAEJJIRKJND-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189218
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093134
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
[(1S,2R)-2-butan-2-ylcyclopropyl]benzene
CID 100977404
2-amino-3-(1-butan-2-ylpyrazol-3-yl)propanamide
CID 64991110
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312016
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107851970
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine (CID 104989817) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine is CCC(C)n1ccc(CC(N)C2CC2c2ccccc2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine?
The InChIKey is AIBDAEJJIRKJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-13(2)21-10-9-15(20-21)11-18(19)17-12-16(17)14-7-5-4-6-8-14/h4-10,13,16-18H,3,11-12,19H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(2-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 104989817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).