(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide

C20H31N5O2+2 — CID 2392942

IUPAC(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
SMILESCC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-5-23-11-13-24(14-12-23)16(3)19(26)21-18-15(2)22(4)25(20(18)27)17-9-7-6-8-10-17/h6-10,16H,5,11-14H2,1-4H3,(H,21,26)/p+2/t16-/m1/s1
InChIKeyGBPSMZOVQPUGMC-MRXNPFEDSA-P
MW373.50 g/mol
LogP-1.39
Rot. Bonds5

About (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 2392942) has the molecular formula C20H31N5O2+2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID2392942
Molecular FormulaC20H31N5O2+2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide
SMILESCC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C20H29N5O2/c1-5-23-11-13-24(14-12-23)16(3)19(26)21-18-15(2)22(4)25(20(18)27)17-9-7-6-8-10-17/h6-10,16H,5,11-14H2,1-4H3,(H,21,26)/p+2/t16-/m1/s1
InChIKeyGBPSMZOVQPUGMC-MRXNPFEDSA-P
XLogP-1.39
TPSA64.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2125351
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pentanamide
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CID 4169686
2-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)hexanamide
CID 110839502
2-benzylsulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 2899652
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
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CID 23801450
1-butan-2-yl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea
CID 3904120
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methoxyphenoxy)propanamide
CID 1283770
2-[benzyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide (CID 2392942) is (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide is CC[NH+]1CC[NH+]([C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1.
What is the InChIKey of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is GBPSMZOVQPUGMC-MRXNPFEDSA-P. The full InChI is InChI=1S/C20H29N5O2/c1-5-23-11-13-24(14-12-23)16(3)19(26)21-18-15(2)22(4)25(20(18)27)17-9-7-6-8-10-17/h6-10,16H,5,11-14H2,1-4H3,(H,21,26)/p+2/t16-/m1/s1.
What are the key properties of (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide?
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 373.50 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 2392942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).