2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid

C14H18N6O5S — CID 19485690

IUPAC2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)Cn3nccc3C(=O)O)CC2)cn1
InChIInChI=1S/C14H18N6O5S/c1-17-9-11(8-16-17)26(24,25)19-6-4-18(5-7-19)13(21)10-20-12(14(22)23)2-3-15-20/h2-3,8-9H,4-7,10H2,1H3,(H,22,23)
InChIKeyQHEDPEXCNXGFBO-UHFFFAOYSA-N
MW382.40 g/mol
LogP-1.15
Rot. Bonds5

About 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485690) has the molecular formula C14H18N6O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485690
Molecular FormulaC14H18N6O5S
Molecular Weight382.40 g/mol
Exact Mass382.11
IUPAC Name2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)Cn3nccc3C(=O)O)CC2)cn1
InChIInChI=1S/C14H18N6O5S/c1-17-9-11(8-16-17)26(24,25)19-6-4-18(5-7-19)13(21)10-20-12(14(22)23)2-3-15-20/h2-3,8-9H,4-7,10H2,1H3,(H,22,23)
InChIKeyQHEDPEXCNXGFBO-UHFFFAOYSA-N
XLogP-1.15
TPSA130.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-methylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 19527465
2-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485709
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780092
2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyrazole-3-carboxylic acid
CID 19485695
1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 19527393
3-[2-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 86266950
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19515154
3-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 91629403
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 78904620
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19478252
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485690) is 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid is Cn1cc(S(=O)(=O)N2CCN(C(=O)Cn3nccc3C(=O)O)CC2)cn1.
What is the InChIKey of 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is QHEDPEXCNXGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O5S/c1-17-9-11(8-16-17)26(24,25)19-6-4-18(5-7-19)13(21)10-20-12(14(22)23)2-3-15-20/h2-3,8-9H,4-7,10H2,1H3,(H,22,23).
What are the key properties of 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 382.40 g/mol, XLogP of -1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).