N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide

C9H15N3O3S — CID 63298486

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C2CC2)cn1
InChIInChI=1S/C9H15N3O3S/c1-12-6-8(4-10-12)16(14,15)11-5-9(13)7-2-3-7/h4,6-7,9,11,13H,2-3,5H2,1H3
InChIKeyFTCVPMJMYZXXFA-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.53
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 63298486) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID63298486
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)C2CC2)cn1
InChIInChI=1S/C9H15N3O3S/c1-12-6-8(4-10-12)16(14,15)11-5-9(13)7-2-3-7/h4,6-7,9,11,13H,2-3,5H2,1H3
InChIKeyFTCVPMJMYZXXFA-UHFFFAOYSA-N
XLogP-0.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methylpyrazole-4-sulfonamide
CID 99997051
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63298942
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 97416987
1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114616511
1-methyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]pyrazole-4-sulfonamide
CID 94025288
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
N-(2-chloroprop-2-enyl)-1-methylpyrazole-4-sulfonamide
CID 115638532

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide (CID 63298486) is N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)C2CC2)cn1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is FTCVPMJMYZXXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-12-6-8(4-10-12)16(14,15)11-5-9(13)7-2-3-7/h4,6-7,9,11,13H,2-3,5H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 63298486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).