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

C20H27N5O2 — CID 124956948

IUPAC(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-12-16(2)25(22-15)14-19(26)24-11-10-23(18(13-24)20(21)27)9-8-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H2,21,27)/t18-/m0/s1
InChIKeyFVECRJOFOHZMIQ-SFHVURJKSA-N
MW369.47 g/mol
LogP0.74
Rot. Bonds6

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

(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 124956948) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID124956948
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)n1
InChIInChI=1S/C20H27N5O2/c1-15-12-16(2)25(22-15)14-19(26)24-11-10-23(18(13-24)20(21)27)9-8-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H2,21,27)/t18-/m0/s1
InChIKeyFVECRJOFOHZMIQ-SFHVURJKSA-N
XLogP0.74
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
(2R)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124997614
4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086526
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
(2S)-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125020064
(2S)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125004065
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
4-(1-methyl-6-oxopyridazine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 175658274
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 124948870

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide (CID 124956948) is (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide is Cc1cc(C)n(CC(=O)N2CCN(CCc3ccccc3)[C@H](C(N)=O)C2)n1.
What is the InChIKey of (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is FVECRJOFOHZMIQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-12-16(2)25(22-15)14-19(26)24-11-10-23(18(13-24)20(21)27)9-8-17-6-4-3-5-7-17/h3-7,12,18H,8-11,13-14H2,1-2H3,(H2,21,27)/t18-/m0/s1.
What are the key properties of (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide?
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 124956948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).