N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide

C20H27N5O2 — CID 55567246

IUPACN-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-21-19(26)16-23-10-12-24(13-11-23)20(27)9-8-17-14-22-25(15-17)18-6-4-3-5-7-18/h3-7,14-15H,2,8-13,16H2,1H3,(H,21,26)
InChIKeyCGDVOLLLSLBXGT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.09
Rot. Bonds7

About N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide (PubChem CID 55567246) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
PubChem CID55567246
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-21-19(26)16-23-10-12-24(13-11-23)20(27)9-8-17-14-22-25(15-17)18-6-4-3-5-7-18/h3-7,14-15H,2,8-13,16H2,1H3,(H,21,26)
InChIKeyCGDVOLLLSLBXGT-UHFFFAOYSA-N
XLogP1.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 39570966
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
CID 55717821
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 71875363
1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 124731950
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
3-(1-phenylpyrazol-4-yl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 56537547
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide (CID 55567246) is N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide?
The InChIKey is CGDVOLLLSLBXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-21-19(26)16-23-10-12-24(13-11-23)20(27)9-8-17-14-22-25(15-17)18-6-4-3-5-7-18/h3-7,14-15H,2,8-13,16H2,1H3,(H,21,26).
What are the key properties of N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55567246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).