1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide

C13H23N5O — CID 83091430

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1Cc1cn(C)nc1C
InChIInChI=1S/C13H23N5O/c1-4-15-13(19)12-7-14-5-6-18(12)9-11-8-17(3)16-10(11)2/h8,12,14H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyIEZLYJRZBHPZAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.36
Rot. Bonds4

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide

1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide (PubChem CID 83091430) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide
PubChem CID83091430
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1Cc1cn(C)nc1C
InChIInChI=1S/C13H23N5O/c1-4-15-13(19)12-7-14-5-6-18(12)9-11-8-17(3)16-10(11)2/h8,12,14H,4-7,9H2,1-3H3,(H,15,19)
InChIKeyIEZLYJRZBHPZAA-UHFFFAOYSA-N
XLogP-0.36
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylpiperazine-2-carboxamide
CID 116519823
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
CID 114496531
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
1-(isoquinolin-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104504388
N-ethyl-1-[(4-ethylmorpholin-2-yl)methyl]piperazine-2-carboxamide
CID 79182706
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
CID 79163472
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
1-[(3-cyano-2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 107118999

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide (CID 83091430) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1Cc1cn(C)nc1C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide?
The InChIKey is IEZLYJRZBHPZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-15-13(19)12-7-14-5-6-18(12)9-11-8-17(3)16-10(11)2/h8,12,14H,4-7,9H2,1-3H3,(H,15,19).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 83091430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).