(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone

C20H26N4O2 — CID 134020644

IUPAC(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-18-15-24(17-9-3-2-4-10-17)21-19(18)20(25)23-13-11-22(12-14-23)16-7-5-6-8-16/h2-4,9-10,15-16H,5-8,11-14H2,1H3
InChIKeyZYGMTWLGOPMMHI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.58
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone (PubChem CID 134020644) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
PubChem CID134020644
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-18-15-24(17-9-3-2-4-10-17)21-19(18)20(25)23-13-11-22(12-14-23)16-7-5-6-8-16/h2-4,9-10,15-16H,5-8,11-14H2,1H3
InChIKeyZYGMTWLGOPMMHI-UHFFFAOYSA-N
XLogP2.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994712
ethyl 4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 17404168
(4-cyclopentylpiperazin-1-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 55584927
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 55904023
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(5-chloro-2-fluorophenyl)-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 55716386
1-benzofuran-2-yl-[4-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 32538830
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644222
(4-ethoxy-1-phenylpyrazol-3-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429819
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone (CID 134020644) is (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone is COc1cn(-c2ccccc2)nc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
The InChIKey is ZYGMTWLGOPMMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-15-24(17-9-3-2-4-10-17)21-19(18)20(25)23-13-11-22(12-14-23)16-7-5-6-8-16/h2-4,9-10,15-16H,5-8,11-14H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 134020644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).