2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

C10H15N3O4S — CID 54929765

IUPAC2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H15N3O4S/c1-7-9(4-11-12-7)18(16,17)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyINAQOCNELYGAFR-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.20
Rot. Bonds6

About 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid

2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (PubChem CID 54929765) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
PubChem CID54929765
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H15N3O4S/c1-7-9(4-11-12-7)18(16,17)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyINAQOCNELYGAFR-UHFFFAOYSA-N
XLogP0.20
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid (CID 54929765) is 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is Cc1[nH]ncc1S(=O)(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
The InChIKey is INAQOCNELYGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-9(4-11-12-7)18(16,17)13(6-10(14)15)5-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid?
2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 54929765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).