(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide

C17H21N5O2 — CID 95811288

IUPAC(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H21N5O2/c1-12-14(9-19-20-12)17(24)22-8-7-21(15(11-22)16(18)23)10-13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H2,18,23)(H,19,20)/t15-/m0/s1
InChIKeyWYBHGVWJEGIVGC-HNNXBMFYSA-N
MW327.39 g/mol
LogP0.53
Rot. Bonds4

About (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide

(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 95811288) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID95811288
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide
SMILESCc1[nH]ncc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C17H21N5O2/c1-12-14(9-19-20-12)17(24)22-8-7-21(15(11-22)16(18)23)10-13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H2,18,23)(H,19,20)/t15-/m0/s1
InChIKeyWYBHGVWJEGIVGC-HNNXBMFYSA-N
XLogP0.53
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
(2S)-1-benzyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124944737
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 97066356
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-1-benzyl-4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperazine-2-carboxamide
CID 125008674
1-benzyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 110086456
1-benzyl-N-methyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 110086182
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
(6R)-1-(5-methyl-1H-pyrazole-4-carbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one
CID 92586977
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide (CID 95811288) is (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide is Cc1[nH]ncc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is WYBHGVWJEGIVGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-14(9-19-20-12)17(24)22-8-7-21(15(11-22)16(18)23)10-13-5-3-2-4-6-13/h2-6,9,15H,7-8,10-11H2,1H3,(H2,18,23)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide?
(2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 95811288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).