N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

C21H29N5O2 — CID 72862145

IUPACN-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(23-20-10-11-22-26(20)18-6-4-5-7-18)25-14-12-24(13-15-25)16-17-28-19-8-2-1-3-9-19/h1-3,8-11,18H,4-7,12-17H2,(H,23,27)
InChIKeyGSLZODHDQOHBLD-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.23
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide

N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 72862145) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID72862145
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCC1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H29N5O2/c27-21(23-20-10-11-22-26(20)18-6-4-5-7-18)25-14-12-24(13-15-25)16-17-28-19-8-2-1-3-9-19/h1-3,8-11,18H,4-7,12-17H2,(H,23,27)
InChIKeyGSLZODHDQOHBLD-UHFFFAOYSA-N
XLogP3.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 56756448
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-4-(3-phenylpropyl)-1,4-diazepane-1-carboxamide
CID 139008438
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
N-(2-cyclopentylpyrazol-3-yl)-3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propanamide
CID 42930136
N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 25492362
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 72862145) is N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is O=C(Nc1ccnn1C1CCCC1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is GSLZODHDQOHBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(23-20-10-11-22-26(20)18-6-4-5-7-18)25-14-12-24(13-15-25)16-17-28-19-8-2-1-3-9-19/h1-3,8-11,18H,4-7,12-17H2,(H,23,27).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 72862145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).