N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide

C18H24N6O2 — CID 123191297

IUPACN-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C(=O)N2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C18H24N6O2/c1-3-21(2)17(25)15-12-20-24(13-15)18(26)23-10-8-22(9-11-23)14-16-6-4-5-7-19-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyUZOKEYAKQIXXNX-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.16
Rot. Bonds4

About N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide

N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide (PubChem CID 123191297) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide
PubChem CID123191297
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(C(=O)N2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C18H24N6O2/c1-3-21(2)17(25)15-12-20-24(13-15)18(26)23-10-8-22(9-11-23)14-16-6-4-5-7-19-16/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyUZOKEYAKQIXXNX-UHFFFAOYSA-N
XLogP1.16
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-4-(dimethylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one
CID 166416165
morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 118526844
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
(2R)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94044311
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide (CID 123191297) is N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(C(=O)N2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide?
The InChIKey is UZOKEYAKQIXXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-21(2)17(25)15-12-20-24(13-15)18(26)23-10-8-22(9-11-23)14-16-6-4-5-7-19-16/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide?
N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 123191297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).