(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide

C15H25N5O2 — CID 124948870

IUPAC(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(C)[C@@H](C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O2/c1-11-8-12(2)20(16-11)10-14(21)19-7-6-18(5)13(9-19)15(22)17(3)4/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyCPVCMFCWICLTIM-CYBMUJFWSA-N
MW307.40 g/mol
LogP-0.27
Rot. Bonds3

About (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide

(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide (PubChem CID 124948870) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
PubChem CID124948870
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(C)[C@@H](C(=O)N(C)C)C2)n1
InChIInChI=1S/C15H25N5O2/c1-11-8-12(2)20(16-11)10-14(21)19-7-6-18(5)13(9-19)15(22)17(3)4/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyCPVCMFCWICLTIM-CYBMUJFWSA-N
XLogP-0.27
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
1-[2-(azepane-1-carbonyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 110246407

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide (CID 124948870) is (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide is Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](C(=O)N(C)C)C2)n1.
What is the InChIKey of (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide?
The InChIKey is CPVCMFCWICLTIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-8-12(2)20(16-11)10-14(21)19-7-6-18(5)13(9-19)15(22)17(3)4/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide?
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124948870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).