N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C22H24N4O3S — CID 2323451

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-21(17(2)26(24-16)19-8-4-3-5-9-19)23-22(27)18-10-12-20(13-11-18)30(28,29)25-14-6-7-15-25/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,23,27)
InChIKeyAONIHJLTBUXIQP-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.53
Rot. Bonds5

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2323451) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2323451
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16-21(17(2)26(24-16)19-8-4-3-5-9-19)23-22(27)18-10-12-20(13-11-18)30(28,29)25-14-6-7-15-25/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,23,27)
InChIKeyAONIHJLTBUXIQP-UHFFFAOYSA-N
XLogP3.53
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2323451) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AONIHJLTBUXIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16-21(17(2)26(24-16)19-8-4-3-5-9-19)23-22(27)18-10-12-20(13-11-18)30(28,29)25-14-6-7-15-25/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,23,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 424.53 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2323451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).