N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C14H21N5O4 — CID 121091971

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H21N5O4/c1-10(20)18-4-6-19(7-5-18)12(21)8-15-13(22)11-9-17(2)16-14(11)23-3/h9H,4-8H2,1-3H3,(H,15,22)
InChIKeyZHVWUODWSQYCSL-UHFFFAOYSA-N
MW323.35 g/mol
LogP-1.15
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 121091971) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID121091971
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C14H21N5O4/c1-10(20)18-4-6-19(7-5-18)12(21)8-15-13(22)11-9-17(2)16-14(11)23-3/h9H,4-8H2,1-3H3,(H,15,22)
InChIKeyZHVWUODWSQYCSL-UHFFFAOYSA-N
XLogP-1.15
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 121092010
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
ethyl 4-[2-[(3-methoxy-1-methylpyrazole-4-carbonyl)-methylamino]acetyl]piperazine-1-carboxylate
CID 121092063
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091914
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 121091966
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 60598831
3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 56764415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 121091971) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is ZHVWUODWSQYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-10(20)18-4-6-19(7-5-18)12(21)8-15-13(22)11-9-17(2)16-14(11)23-3/h9H,4-8H2,1-3H3,(H,15,22).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).