1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide

C19H25N5O2 — CID 110086456

IUPAC1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)C(C(N)=O)C2)n1
InChIInChI=1S/C19H25N5O2/c1-14-10-15(2)24(21-14)13-18(25)23-9-8-22(17(12-23)19(20)26)11-16-6-4-3-5-7-16/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,20,26)
InChIKeyHNVVVSVENWPYJK-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.70
Rot. Bonds5

About 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide

1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide (PubChem CID 110086456) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
PubChem CID110086456
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)C(C(N)=O)C2)n1
InChIInChI=1S/C19H25N5O2/c1-14-10-15(2)24(21-14)13-18(25)23-9-8-22(17(12-23)19(20)26)11-16-6-4-3-5-7-16/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,20,26)
InChIKeyHNVVVSVENWPYJK-UHFFFAOYSA-N
XLogP0.70
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 124948870
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 164696300

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide (CID 110086456) is 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide is Cc1cc(C)n(CC(=O)N2CCN(Cc3ccccc3)C(C(N)=O)C2)n1.
What is the InChIKey of 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is HNVVVSVENWPYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-10-15(2)24(21-14)13-18(25)23-9-8-22(17(12-23)19(20)26)11-16-6-4-3-5-7-16/h3-7,10,17H,8-9,11-13H2,1-2H3,(H2,20,26).
What are the key properties of 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide?
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).