N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide

C16H27N5O2 — CID 164642775

IUPACN-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
SMILESCCc1nn(C)c(NC(=O)C[C@H]2C(=O)NCCN2CC)c1CC
InChIInChI=1S/C16H27N5O2/c1-5-11-12(6-2)19-20(4)15(11)18-14(22)10-13-16(23)17-8-9-21(13)7-3/h13H,5-10H2,1-4H3,(H,17,23)(H,18,22)/t13-/m0/s1
InChIKeyKSJVPQHRRUZFTK-ZDUSSCGKSA-N
MW321.43 g/mol
LogP0.69
Rot. Bonds6

About N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide

N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide (PubChem CID 164642775) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
PubChem CID164642775
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
SMILESCCc1nn(C)c(NC(=O)C[C@H]2C(=O)NCCN2CC)c1CC
InChIInChI=1S/C16H27N5O2/c1-5-11-12(6-2)19-20(4)15(11)18-14(22)10-13-16(23)17-8-9-21(13)7-3/h13H,5-10H2,1-4H3,(H,17,23)(H,18,22)/t13-/m0/s1
InChIKeyKSJVPQHRRUZFTK-ZDUSSCGKSA-N
XLogP0.69
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51104825
3-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104977
1-[4-[[5-(Dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 51104980
N-cyclohexyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105189
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 51105444
4-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539239
N-ethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539387
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 53539931
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 53540365
N,N-dimethyl-2-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
CID 53540774
N-cyclopentyl-2-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide;hydrochloride
CID 53540364

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide (CID 164642775) is N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide is CCc1nn(C)c(NC(=O)C[C@H]2C(=O)NCCN2CC)c1CC.
What is the InChIKey of N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
The InChIKey is KSJVPQHRRUZFTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-5-11-12(6-2)19-20(4)15(11)18-14(22)10-13-16(23)17-8-9-21(13)7-3/h13H,5-10H2,1-4H3,(H,17,23)(H,18,22)/t13-/m0/s1.
What are the key properties of N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide?
N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 164642775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).