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

C19H25N5O2 — CID 110086608

IUPAC1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C19H25N5O2/c1-13-16(14(2)22-21-13)10-18(25)24-9-8-23(17(12-24)19(20)26)11-15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H2,20,26)(H,21,22)
InChIKeyPJDJZNDKXREDCF-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.77
Rot. Bonds5

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

1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide (PubChem CID 110086608) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
PubChem CID110086608
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
SMILESCc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C19H25N5O2/c1-13-16(14(2)22-21-13)10-18(25)24-9-8-23(17(12-24)19(20)26)11-15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H2,20,26)(H,21,22)
InChIKeyPJDJZNDKXREDCF-UHFFFAOYSA-N
XLogP0.77
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125020064
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
CID 95811288
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124990187
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 154866413
1-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 56750877
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 118762638
benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
CID 146024159

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide (CID 110086608) is 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide is Cc1n[nH]c(C)c1CC(=O)N1CCN(Cc2ccccc2)C(C(N)=O)C1.
What is the InChIKey of 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is PJDJZNDKXREDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-16(14(2)22-21-13)10-18(25)24-9-8-23(17(12-24)19(20)26)11-15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H2,20,26)(H,21,22).
What are the key properties of 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide?
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 110086608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).