N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide

C13H21N5O3S — CID 131939586

IUPACN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C13H21N5O3S/c1-4-7-18-9-11(8-14-18)22(19,20)15-6-5-12-16-13(10(2)3)21-17-12/h8-10,15H,4-7H2,1-3H3
InChIKeyCTZMQDYLTNLHQW-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.32
Rot. Bonds8

About N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide

N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 131939586) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
PubChem CID131939586
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCc2noc(C(C)C)n2)cn1
InChIInChI=1S/C13H21N5O3S/c1-4-7-18-9-11(8-14-18)22(19,20)15-6-5-12-16-13(10(2)3)21-17-12/h8-10,15H,4-7H2,1-3H3
InChIKeyCTZMQDYLTNLHQW-UHFFFAOYSA-N
XLogP1.32
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-YL)pyrrolidine-3-carboxamide
CID 91911132
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-YL)pyrrolidine-3-carboxamide
CID 91911121
1-ethyl-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrazole-4-sulfonamide
CID 91917662
N-(2-{5-[1-(1-ethyl-1H-pyrazole-4-sulfonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N-methylcyclopropanecarboxamide
CID 124076476
5-methyl-3-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylazepan-2-yl]-1,2,4-oxadiazole
CID 97344865
1-methyl-N-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazole-4-sulfonamide
CID 100612603
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-1-propyl-1H-pyrazole-4-sulfonamide
CID 122568640
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-4-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine
CID 124041813
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-ethylpyrazole-3-sulfonamide
CID 125438128
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrazole-3-sulfonamide
CID 125445850
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 129609331

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide (CID 131939586) is N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCc2noc(C(C)C)n2)cn1.
What is the InChIKey of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is CTZMQDYLTNLHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-4-7-18-9-11(8-14-18)22(19,20)15-6-5-12-16-13(10(2)3)21-17-12/h8-10,15H,4-7H2,1-3H3.
What are the key properties of N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide?
N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 131939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).