N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C8H15N3O4S — CID 60960308

IUPACN,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H15N3O4S/c1-7-8(6-9-10-7)16(14,15)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3,(H,9,10)
InChIKeyCZXDHEXYLNIRSH-UHFFFAOYSA-N
MW249.29 g/mol
LogP-1.31
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60960308) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60960308
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC NameN,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H15N3O4S/c1-7-8(6-9-10-7)16(14,15)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3,(H,9,10)
InChIKeyCZXDHEXYLNIRSH-UHFFFAOYSA-N
XLogP-1.31
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 60912366
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propylamino]-N-propylacetamide
CID 60959125
methyl 3-[2-methylpropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoate
CID 60959588
N,5-dimethyl-N-(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60959000
2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl-propan-2-ylamino]acetamide
CID 60911348
5-amino-N,N-dipentyl-1H-pyrazole-4-sulfonamide
CID 61110324
2-methyl-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
CID 55123980
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
CID 60910822
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 62009033

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 60960308) is N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CZXDHEXYLNIRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-7-8(6-9-10-7)16(14,15)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3,(H,9,10).
What are the key properties of N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 249.29 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60960308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).