(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone

C17H28N4O — CID 72837249

IUPAC(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3
InChIKeyKCISPZFXZYTIJC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.30
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 72837249) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID72837249
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C
InChIInChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3
InChIKeyKCISPZFXZYTIJC-UHFFFAOYSA-N
XLogP2.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[4,5-d]pyridazin-4-one
CID 53353881
2-[2-(Dimethylamino)ethyl]-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353981
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
2-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 53526983
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 72861313
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone (CID 72837249) is (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone is CCCn1ncc(C(=O)N2CCN(C3CCCC3)CC2)c1C.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is KCISPZFXZYTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-8-21-14(2)16(13-18-21)17(22)20-11-9-19(10-12-20)15-6-4-5-7-15/h13,15H,3-12H2,1-2H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 304.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(5-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 72837249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).