(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H21N5O — CID 110389044

IUPAC(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2c1CCC2
InChIInChI=1S/C17H21N5O/c1-20-14-6-4-5-13(14)16(19-20)17(23)22-11-9-21(10-12-22)15-7-2-3-8-18-15/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyZZPMCDISDFLPSP-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.27
Rot. Bonds2

About (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110389044) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110389044
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2c1CCC2
InChIInChI=1S/C17H21N5O/c1-20-14-6-4-5-13(14)16(19-20)17(23)22-11-9-21(10-12-22)15-7-2-3-8-18-15/h2-3,7-8H,4-6,9-12H2,1H3
InChIKeyZZPMCDISDFLPSP-UHFFFAOYSA-N
XLogP1.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389026
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389062
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
(5-amino-1-methylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 82188777
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 136545816
[(5S)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 40976018

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110389044) is (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cn1nc(C(=O)N2CCN(c3ccccn3)CC2)c2c1CCC2.
What is the InChIKey of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZZPMCDISDFLPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-20-14-6-4-5-13(14)16(19-20)17(23)22-11-9-21(10-12-22)15-7-2-3-8-18-15/h2-3,7-8H,4-6,9-12H2,1H3.
What are the key properties of (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110389044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).