4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid

C16H18N4O4 — CID 56877528

IUPAC4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C16H18N4O4/c1-24-11-4-2-3-10(7-11)14-12(8-18-19-14)15(21)20-6-5-17-13(9-20)16(22)23/h2-4,7-8,13,17H,5-6,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyNXUBWQNTRPZEOQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.58
Rot. Bonds4

About 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid

4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid (PubChem CID 56877528) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
PubChem CID56877528
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N2CCNC(C(=O)O)C2)c1
InChIInChI=1S/C16H18N4O4/c1-24-11-4-2-3-10(7-11)14-12(8-18-19-14)15(21)20-6-5-17-13(9-20)16(22)23/h2-4,7-8,13,17H,5-6,9H2,1H3,(H,18,19)(H,22,23)
InChIKeyNXUBWQNTRPZEOQ-UHFFFAOYSA-N
XLogP0.58
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 139023916
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56872933
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 70780400
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 95401254
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 74236610
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 56744449
[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methanone
CID 119636197
1,4-diazepan-1-yl-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119418809

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid (CID 56877528) is 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid is COc1cccc(-c2[nH]ncc2C(=O)N2CCNC(C(=O)O)C2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid?
The InChIKey is NXUBWQNTRPZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-24-11-4-2-3-10(7-11)14-12(8-18-19-14)15(21)20-6-5-17-13(9-20)16(22)23/h2-4,7-8,13,17H,5-6,9H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid?
4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56877528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).