2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine

C17H23N3 — CID 105151678

IUPAC2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCNC(CC1CCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-2-18-17(11-14-7-6-8-14)15-12-19-20(13-15)16-9-4-3-5-10-16/h3-5,9-10,12-14,17-18H,2,6-8,11H2,1H3
InChIKeyPUERNXMFGBMUFD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.71
Rot. Bonds6

About 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine

2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 105151678) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID105151678
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCCNC(CC1CCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-2-18-17(11-14-7-6-8-14)15-12-19-20(13-15)16-9-4-3-5-10-16/h3-5,9-10,12-14,17-18H,2,6-8,11H2,1H3
InChIKeyPUERNXMFGBMUFD-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
2-cycloheptyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 114457498
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
[cyclohexyl-(1-phenylpyrazol-4-yl)methyl]hydrazine
CID 105282022

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine (CID 105151678) is 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine is CCNC(CC1CCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is PUERNXMFGBMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-18-17(11-14-7-6-8-14)15-12-19-20(13-15)16-9-4-3-5-10-16/h3-5,9-10,12-14,17-18H,2,6-8,11H2,1H3.
What are the key properties of 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine?
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105151678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).