4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid

C12H18N4O3 — CID 19624067

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCN1CCN(C(=O)c2cn(C)nc2C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-3-15-4-6-16(7-5-15)11(17)9-8-14(2)13-10(9)12(18)19/h8H,3-7H2,1-2H3,(H,18,19)
InChIKeyQZXWQSOBFOHSJP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.10
Rot. Bonds3

About 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid

4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 19624067) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID19624067
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCN1CCN(C(=O)c2cn(C)nc2C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-3-15-4-6-16(7-5-15)11(17)9-8-14(2)13-10(9)12(18)19/h8H,3-7H2,1-2H3,(H,18,19)
InChIKeyQZXWQSOBFOHSJP-UHFFFAOYSA-N
XLogP-0.10
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 19498665
1-methyl-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrazole-3-carboxylic acid
CID 19624124
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
[4-(2-aminoethyl)piperazin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102809897
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(4-ethylpiperazin-1-yl)-(2-methyltriazol-4-yl)methanone
CID 110691366
(3-ethyl-1-methylpyrazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 103894061
ethyl 4-(4-iodo-1-methylpyrazole-3-carbonyl)piperazine-1-carboxylate
CID 19279180
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 19498459
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
1-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19498274

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid (CID 19624067) is 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid is CCN1CCN(C(=O)c2cn(C)nc2C(=O)O)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is QZXWQSOBFOHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-15-4-6-16(7-5-15)11(17)9-8-14(2)13-10(9)12(18)19/h8H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid?
4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 19624067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).