N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

C18H26N4O2S — CID 78085861

IUPACN,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCCCC1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1N(C)C
InChIInChI=1S/C18H26N4O2S/c1-4-6-15-13-21(14-18(15)20(2)3)25(23,24)17-9-7-16(8-10-17)22-12-5-11-19-22/h5,7-12,15,18H,4,6,13-14H2,1-3H3
InChIKeyXEBIURJLQGXRAE-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.22
Rot. Bonds6

About N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine

N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 78085861) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID78085861
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCCCC1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1N(C)C
InChIInChI=1S/C18H26N4O2S/c1-4-6-15-13-21(14-18(15)20(2)3)25(23,24)17-9-7-16(8-10-17)22-12-5-11-19-22/h5,7-12,15,18H,4,6,13-14H2,1-3H3
InChIKeyXEBIURJLQGXRAE-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 70772423
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
4-(phenoxymethyl)-1-[1-(4-pyrazol-1-ylphenyl)sulfonylazetidin-3-yl]triazole
CID 91629975
(3S,4S)-1-(4-fluorophenyl)sulfonyl-N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine
CID 97060665
1-[4-(ethylamino)phenyl]sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81463975
N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 56867585
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
N-[3,3,5,5-tetramethyl-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237255
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 141145994

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine (CID 78085861) is N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is CCCC1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1N(C)C.
What is the InChIKey of N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is XEBIURJLQGXRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-6-15-13-21(14-18(15)20(2)3)25(23,24)17-9-7-16(8-10-17)22-12-5-11-19-22/h5,7-12,15,18H,4,6,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine?
N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 362.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 78085861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).