(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C22H30N4O — CID 78087560

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-4-26-21(17-20(23-26)18(2)3)22(27)25-15-13-24(14-16-25)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,4,12-16H2,1-3H3
InChIKeyJEOAWIGKDJQUHQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.50
Rot. Bonds6

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 78087560) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID78087560
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H30N4O/c1-4-26-21(17-20(23-26)18(2)3)22(27)25-15-13-24(14-16-25)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,4,12-16H2,1-3H3
InChIKeyJEOAWIGKDJQUHQ-UHFFFAOYSA-N
XLogP3.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylindol-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 76867455
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
(3-methyl-1-propylpyrazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 72864146
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043130

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 78087560) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is JEOAWIGKDJQUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-4-26-21(17-20(23-26)18(2)3)22(27)25-15-13-24(14-16-25)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,4,12-16H2,1-3H3.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78087560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).