1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole

C12H19N3 — CID 129407936

IUPAC1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc([C@@H]2CCCNC2)c2c1CCC2
InChIInChI=1S/C12H19N3/c1-15-11-6-2-5-10(11)12(14-15)9-4-3-7-13-8-9/h9,13H,2-8H2,1H3/t9-/m1/s1
InChIKeyJSYHFVSYFUOSCK-SECBINFHSA-N
MW205.30 g/mol
LogP1.38
Rot. Bonds1

About 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 129407936) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID129407936
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCn1nc([C@@H]2CCCNC2)c2c1CCC2
InChIInChI=1S/C12H19N3/c1-15-11-6-2-5-10(11)12(14-15)9-4-3-7-13-8-9/h9,13H,2-8H2,1H3/t9-/m1/s1
InChIKeyJSYHFVSYFUOSCK-SECBINFHSA-N
XLogP1.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83849486
1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214685
1-methyl-3-piperidin-3-ylindazol-7-amine
CID 175889087
3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
CID 84608514
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
4-methoxy-2-piperidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 105493352
5-methyl-3-piperidin-3-yl-4,5,6,7-tetrahydro-1H-indazole
CID 83849440
1-[(1-methyl-3-piperidin-3-ylpyrazol-5-yl)methyl]piperidine
CID 172524135
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
1-pentyl-3-piperidin-3-ylindazole
CID 67818379
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 129407936) is 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole is Cn1nc([C@@H]2CCCNC2)c2c1CCC2.
What is the InChIKey of 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is JSYHFVSYFUOSCK-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-11-6-2-5-10(11)12(14-15)9-4-3-7-13-8-9/h9,13H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 205.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 129407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).