N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C17H25N5O3S — CID 166199218

IUPACN-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C
InChIInChI=1S/C17H25N5O3S/c1-4-12(2)22-13(3)9-16(19-22)20-26(24,25)14-10-15(18-11-14)17(23)21-7-5-6-8-21/h9-12,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyDKTQJFGTLQLSLZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.53
Rot. Bonds6

About N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 166199218) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID166199218
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C
InChIInChI=1S/C17H25N5O3S/c1-4-12(2)22-13(3)9-16(19-22)20-26(24,25)14-10-15(18-11-14)17(23)21-7-5-6-8-21/h9-12,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyDKTQJFGTLQLSLZ-UHFFFAOYSA-N
XLogP2.53
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
N-(2-amino-2-ethylbutyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119990127
N-pentyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35288257
N-(1-amino-2-methylpropan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 119975801
N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
[4-(4-ethylpiperazin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006724
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 70814569
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018895
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 166199218) is N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is CCC(C)n1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1C.
What is the InChIKey of N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DKTQJFGTLQLSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-4-12(2)22-13(3)9-16(19-22)20-26(24,25)14-10-15(18-11-14)17(23)21-7-5-6-8-21/h9-12,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-methylpyrazol-3-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166199218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).