1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide

C14H26N4O2S — CID 75518425

IUPAC1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C14H26N4O2S/c1-5-16-21(19,20)12-6-7-18(10-12)9-11-8-15-17-13(11)14(2,3)4/h8,12,16H,5-7,9-10H2,1-4H3,(H,15,17)
InChIKeyVMXXRYQQOJWXAE-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.22
Rot. Bonds5

About 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide

1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide (PubChem CID 75518425) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
PubChem CID75518425
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C14H26N4O2S/c1-5-16-21(19,20)12-6-7-18(10-12)9-11-8-15-17-13(11)14(2,3)4/h8,12,16H,5-7,9-10H2,1-4H3,(H,15,17)
InChIKeyVMXXRYQQOJWXAE-UHFFFAOYSA-N
XLogP1.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 47331709
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 56820931
N,N-dimethyl-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-sulfonamide
CID 73439586
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine;hydrochloride
CID 47331708
N-[3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 49462151
N-[2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide
CID 49463500
N-ethyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
CID 86785241
6-(fluoromethyl)-5-pentan-3-ylsulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 145523850
5-(3-fluoropropylsulfonyl)-4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepine
CID 137971352
(3-tert-butyl-1H-pyrazol-4-yl)methanesulfonyl fluoride
CID 165636913
2-(3-tert-butyl-1H-pyrazol-4-yl)ethane-1-sulfonyl fluoride
CID 165742739
N-{(3S*,4R*)-1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide
CID 70730661

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide (CID 75518425) is 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2cn[nH]c2C(C)(C)C)C1.
What is the InChIKey of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
The InChIKey is VMXXRYQQOJWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-5-16-21(19,20)12-6-7-18(10-12)9-11-8-15-17-13(11)14(2,3)4/h8,12,16H,5-7,9-10H2,1-4H3,(H,15,17).
What are the key properties of 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide?
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 75518425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).