4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

C18H25N5O — CID 71992455

IUPAC4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC1CN(Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C18H25N5O/c1-3-16-14-22(13-15-7-5-4-6-8-15)11-12-23(16)18(24)19-17-9-10-21(2)20-17/h4-10,16H,3,11-14H2,1-2H3,(H,19,20,24)
InChIKeyOXJRCYYEWBNWFK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds4

About 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide

4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 71992455) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID71992455
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCCC1CN(Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C18H25N5O/c1-3-16-14-22(13-15-7-5-4-6-8-15)11-12-23(16)18(24)19-17-9-10-21(2)20-17/h4-10,16H,3,11-14H2,1-2H3,(H,19,20,24)
InChIKeyOXJRCYYEWBNWFK-UHFFFAOYSA-N
XLogP2.55
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 71994059
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900
(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 95635629
1-[(2S)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782147
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 95782146
1-[(1-methylpyrazol-3-yl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564813
(2S)-4-benzyl-2-(2-hydroxypropyl)piperazine-1-carboxylic acid
CID 71268527
3-[(1-methylpyrazol-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204328
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
4-benzyl-2-methyl-N-(5-propan-2-yl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 136528969

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide (CID 71992455) is 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is CCC1CN(Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is OXJRCYYEWBNWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-16-14-22(13-15-7-5-4-6-8-15)11-12-23(16)18(24)19-17-9-10-21(2)20-17/h4-10,16H,3,11-14H2,1-2H3,(H,19,20,24).
What are the key properties of 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide?
4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethyl-N-(1-methylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71992455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).