1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C18H24N4O3S — CID 78888807

IUPAC1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-3-14-26(24,25)22-13-4-6-17(22)18(23)20-15-7-9-16(10-8-15)21-12-5-11-19-21/h5,7-12,17H,2-4,6,13-14H2,1H3,(H,20,23)
InChIKeyNJWWAHBDGUOPKV-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.41
Rot. Bonds7

About 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 78888807) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID78888807
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-3-14-26(24,25)22-13-4-6-17(22)18(23)20-15-7-9-16(10-8-15)21-12-5-11-19-21/h5,7-12,17H,2-4,6,13-14H2,1H3,(H,20,23)
InChIKeyNJWWAHBDGUOPKV-UHFFFAOYSA-N
XLogP2.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazol-1-ylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 86920866
1-(3-methylsulfanylpropyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45198770
N-[4-(1H-imidazol-2-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 60613372
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-propylsulfonyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 78865337
1-butylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 42763286
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
(2S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 55940289
1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 45245025
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55453705

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 78888807) is 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is CCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is NJWWAHBDGUOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-3-14-26(24,25)22-13-4-6-17(22)18(23)20-15-7-9-16(10-8-15)21-12-5-11-19-21/h5,7-12,17H,2-4,6,13-14H2,1H3,(H,20,23).
What are the key properties of 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78888807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).