N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

C15H24N4O3S — CID 72851250

IUPACN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CN(C(C)=O)C[C@@H]2C2CC2)cn1
InChIInChI=1S/C15H24N4O3S/c1-3-6-19-8-13(7-16-19)23(21,22)17-15-10-18(11(2)20)9-14(15)12-4-5-12/h7-8,12,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyRPCIWHSFJZCKKU-CABCVRRESA-N
MW340.45 g/mol
LogP0.83
Rot. Bonds6

About N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide

N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 72851250) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID72851250
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@H]2CN(C(C)=O)C[C@@H]2C2CC2)cn1
InChIInChI=1S/C15H24N4O3S/c1-3-6-19-8-13(7-16-19)23(21,22)17-15-10-18(11(2)20)9-14(15)12-4-5-12/h7-8,12,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m1/s1
InChIKeyRPCIWHSFJZCKKU-CABCVRRESA-N
XLogP0.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
N-cyclopropyl-N-(3-methylbutyl)-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 53576682
2-(4-methyl-1H-pyrazol-1-yl)-N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}acetamide hydrochloride
CID 72899125
(3R*,4S*)-4-cyclopropyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinamine
CID 72903968
N-[rel-(3R,4S)-4-cyclopropyl-1-(2-hydroxyethyl)-3-pyrrolidinyl]-1-propyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 72938109
2-[(3S,4R)-3-cyclopropyl-4-[(1-propylpyrazol-4-yl)sulfonylamino]pyrrolidin-1-yl]acetamide
CID 72940236
(1S,11R)-2-(1-ethylpyrazol-4-yl)sulfonyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199350
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
4-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921407
1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-8-methyl-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199435
N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide (CID 72851250) is N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@H]2CN(C(C)=O)C[C@@H]2C2CC2)cn1.
What is the InChIKey of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is RPCIWHSFJZCKKU-CABCVRRESA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-3-6-19-8-13(7-16-19)23(21,22)17-15-10-18(11(2)20)9-14(15)12-4-5-12/h7-8,12,14-15,17H,3-6,9-10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide?
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 72851250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).