4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid

C9H15N3O4S — CID 102690942

IUPAC4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-7(2-3-9(13)14)6-11-17(15,16)8-4-5-10-12-8/h4-5,7,11H,2-3,6H2,1H3,(H,10,12)(H,13,14)
InChIKeyXGMQPRWCXCLILB-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.19
Rot. Bonds7

About 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid

4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid (PubChem CID 102690942) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
PubChem CID102690942
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-7(2-3-9(13)14)6-11-17(15,16)8-4-5-10-12-8/h4-5,7,11H,2-3,6H2,1H3,(H,10,12)(H,13,14)
InChIKeyXGMQPRWCXCLILB-UHFFFAOYSA-N
XLogP0.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 64061122
2-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
CID 65221686
4-methyl-2-[(1H-pyrazol-4-ylsulfonylamino)methyl]pentanoic acid
CID 80110698
4-methyl-5-(1H-pyrazol-4-ylsulfonylamino)pentanoic acid
CID 82683501
3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690628
4-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690632
6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid
CID 102690634
1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 102690635
4-methyl-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690642
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
1-(1H-pyrazol-5-ylsulfonyl)piperidine-4-carboxylic acid
CID 102690645
1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylic acid
CID 102690649

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid (CID 102690942) is 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid is CC(CCC(=O)O)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The InChIKey is XGMQPRWCXCLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-7(2-3-9(13)14)6-11-17(15,16)8-4-5-10-12-8/h4-5,7,11H,2-3,6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 102690942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).