1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine

C17H21FN4 — CID 117210842

IUPAC1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
SMILESFc1ccccc1-n1ncc(N2CCNCC2)c1C1CCC1
InChIInChI=1S/C17H21FN4/c18-14-6-1-2-7-15(14)22-17(13-4-3-5-13)16(12-20-22)21-10-8-19-9-11-21/h1-2,6-7,12-13,19H,3-5,8-11H2
InChIKeyNNSBFUKDXVRAOV-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.69
Rot. Bonds3

About 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine

1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine (PubChem CID 117210842) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
PubChem CID117210842
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine
SMILESFc1ccccc1-n1ncc(N2CCNCC2)c1C1CCC1
InChIInChI=1S/C17H21FN4/c18-14-6-1-2-7-15(14)22-17(13-4-3-5-13)16(12-20-22)21-10-8-19-9-11-21/h1-2,6-7,12-13,19H,3-5,8-11H2
InChIKeyNNSBFUKDXVRAOV-UHFFFAOYSA-N
XLogP2.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210825
1-[5-cyclobutyl-1-(3-methylphenyl)pyrazol-4-yl]piperazine
CID 117210663
1-[1-(4-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210435
1-[5-cyclobutyl-1-(2-methylphenyl)pyrazol-4-yl]piperidin-4-amine
CID 117210828
2-[4-(4-aminopiperidin-1-yl)-5-cyclopropylpyrazol-1-yl]phenol
CID 117210810
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196547
3-cyclohexyl-2-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 10859040
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
4-cyclopropyl-2-(2-fluorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211492
N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210819
5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201206

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine (CID 117210842) is 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine is Fc1ccccc1-n1ncc(N2CCNCC2)c1C1CCC1.
What is the InChIKey of 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine?
The InChIKey is NNSBFUKDXVRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-14-6-1-2-7-15(14)22-17(13-4-3-5-13)16(12-20-22)21-10-8-19-9-11-21/h1-2,6-7,12-13,19H,3-5,8-11H2.
What are the key properties of 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine?
1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine has a molecular weight of 300.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclobutyl-1-(2-fluorophenyl)pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).