N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide

C12H19N5O2S — CID 131896768

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C12H19N5O2S/c1-4-7-17-12(5-6-13-17)20(18,19)15-10(2)11-8-14-16(3)9-11/h5-6,8-10,15H,4,7H2,1-3H3
InChIKeyNHMHWPSRQWXAJM-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.07
Rot. Bonds6

About N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide

N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide (PubChem CID 131896768) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
PubChem CID131896768
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C12H19N5O2S/c1-4-7-17-12(5-6-13-17)20(18,19)15-10(2)11-8-14-16(3)9-11/h5-6,8-10,15H,4,7H2,1-3H3
InChIKeyNHMHWPSRQWXAJM-UHFFFAOYSA-N
XLogP1.07
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)-2-propylpyrazole-3-sulfonamide
CID 122560120
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
N-[3-(dimethylamino)-2-hydroxypropyl]-2-propylpyrazole-3-sulfonamide
CID 122570703
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[(2S)-1-aminopropan-2-yl]-2-ethylpyrazole-3-sulfonamide
CID 120713079
3-methyl-4-[1-(1-methylpyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 146121415
N-[4-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
CID 75428354
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 97207164
2-ethyl-N-methylpyrazole-3-sulfonamide
CID 130637633
N-[1-(1-methylpyrazol-4-yl)ethyl]formamide
CID 130520642
N-(1-aminohexan-2-yl)-2-ethylpyrazole-3-sulfonamide
CID 120712481

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide (CID 131896768) is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
The InChIKey is NHMHWPSRQWXAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-4-7-17-12(5-6-13-17)20(18,19)15-10(2)11-8-14-16(3)9-11/h5-6,8-10,15H,4,7H2,1-3H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 131896768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).