2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid

C17H20N4O5S — CID 119230457

IUPAC2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N4O5S/c22-16(23)12-20-11-8-15(19-20)18-17(24)13-4-6-14(7-5-13)27(25,26)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,22,23)(H,18,19,24)
InChIKeyGAEHBVJZRYROTD-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.39
Rot. Bonds6

About 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid

2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 119230457) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
PubChem CID119230457
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N4O5S/c22-16(23)12-20-11-8-15(19-20)18-17(24)13-4-6-14(7-5-13)27(25,26)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,22,23)(H,18,19,24)
InChIKeyGAEHBVJZRYROTD-UHFFFAOYSA-N
XLogP1.39
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
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2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
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CID 120524741
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
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4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51237890
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid (CID 119230457) is 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is GAEHBVJZRYROTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c22-16(23)12-20-11-8-15(19-20)18-17(24)13-4-6-14(7-5-13)27(25,26)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,22,23)(H,18,19,24).
What are the key properties of 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid?
2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 392.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).