1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

C19H25N3 — CID 11507630

IUPAC1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(-n2ncc3c2CCC3CCN2CCCCC2)cc1
InChIInChI=1S/C19H25N3/c1-3-7-17(8-4-1)22-19-10-9-16(18(19)15-20-22)11-14-21-12-5-2-6-13-21/h1,3-4,7-8,15-16H,2,5-6,9-14H2
InChIKeyLGGJZKVEIAHGME-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.78
Rot. Bonds4

About 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 11507630) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID11507630
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESc1ccc(-n2ncc3c2CCC3CCN2CCCCC2)cc1
InChIInChI=1S/C19H25N3/c1-3-7-17(8-4-1)22-19-10-9-16(18(19)15-20-22)11-14-21-12-5-2-6-13-21/h1,3-4,7-8,15-16H,2,5-6,9-14H2
InChIKeyLGGJZKVEIAHGME-UHFFFAOYSA-N
XLogP3.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-((1-phenyl-1H-pyrazol-4-yl)methyl)-1,2,3,6-tetrahydropyridine
CID 11983282
4-Phenyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
CID 44419065
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412191
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513
1,3-Diphenyl-1,4,5,6-tetrahydro-cyclopentapyrazole
CID 15453869
1,3-Diphenyl-1H-pyrazole
CID 613284
Withasomnine
CID 442877
3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 659318

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 11507630) is 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is c1ccc(-n2ncc3c2CCC3CCN2CCCCC2)cc1.
What is the InChIKey of 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is LGGJZKVEIAHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-7-17(8-4-1)22-19-10-9-16(18(19)15-20-22)11-14-21-12-5-2-6-13-21/h1,3-4,7-8,15-16H,2,5-6,9-14H2.
What are the key properties of 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 295.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 11507630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).