2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid

C13H21N3O4S — CID 60951551

IUPAC2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-10(2)5-6-16(11-3-4-11)21(19,20)12-7-14-15(8-12)9-13(17)18/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyTVHJQJGWDXOODR-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.17
Rot. Bonds8

About 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 60951551) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID60951551
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-10(2)5-6-16(11-3-4-11)21(19,20)12-7-14-15(8-12)9-13(17)18/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyTVHJQJGWDXOODR-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43541006
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950901
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63712750
N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
CID 78974350
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 60951551) is 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid is CC(C)CCN(C1CC1)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is TVHJQJGWDXOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-10(2)5-6-16(11-3-4-11)21(19,20)12-7-14-15(8-12)9-13(17)18/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 315.40 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 60951551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).