N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide

C7H13N3O3S — CID 83030940

IUPACN-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC[C@@H](C)O
InChIInChI=1S/C7H13N3O3S/c1-5(11)3-9-14(12,13)7-4-8-10-6(7)2/h4-5,9,11H,3H2,1-2H3,(H,8,10)/t5-/m1/s1
InChIKeyKETOAEYPVXZGCB-RXMQYKEDSA-N
MW219.27 g/mol
LogP-0.62
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 83030940) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID83030940
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC[C@@H](C)O
InChIInChI=1S/C7H13N3O3S/c1-5(11)3-9-14(12,13)7-4-8-10-6(7)2/h4-5,9,11H,3H2,1-2H3,(H,8,10)/t5-/m1/s1
InChIKeyKETOAEYPVXZGCB-RXMQYKEDSA-N
XLogP-0.62
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 83030940) is N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KETOAEYPVXZGCB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-5(11)3-9-14(12,13)7-4-8-10-6(7)2/h4-5,9,11H,3H2,1-2H3,(H,8,10)/t5-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 83030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).